***Start*** ***Start*** Calculate DB11652 ../program/vina --receptor ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB11652.pdbqt --center_x -6.342 --center_y 10.548 --center_z 3.837 --size_x 17 --size_y 18 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/DB11652_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 2031541744 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -10.5 0.000 0.000 Writing output ... done. ***Start*** Calculate DB04868 ../program/vina --receptor ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB04868.pdbqt --center_x -6.342 --center_y 10.548 --center_z 3.837 --size_x 17 --size_y 18 --size_z 19 --num_modes 1 --exhaustiveness 8 --out ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/DB04868_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1473992994 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.1 0.000 0.000 Writing output ... done. ***Start*** Calculate DB01340 ../program/vina --receptor ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01340.pdbqt --center_x -6.342 --center_y 10.548 --center_z 3.837 --size_x 17 --size_y 18 --size_z 18 --num_modes 1 --exhaustiveness 8 --out ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/DB01340_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 2108478172 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.2 0.000 0.000 Writing output ... done. ***Start*** Calculate DB05039 ../program/vina --receptor ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB05039.pdbqt --center_x -6.342 --center_y 10.548 --center_z 3.837 --size_x 17 --size_y 18 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/DB05039_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -664220784 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.1 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00734 ../program/vina --receptor ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00734.pdbqt --center_x -6.342 --center_y 10.548 --center_z 3.837 --size_x 17 --size_y 18 --size_z 21 --num_modes 1 --exhaustiveness 8 --out ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/DB00734_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 844409696 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.1 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00563 ../program/vina --receptor ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00563.pdbqt --center_x -6.342 --center_y 10.548 --center_z 3.837 --size_x 17 --size_y 18 --size_z 19 --num_modes 1 --exhaustiveness 8 --out ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/DB00563_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1951845976 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.9 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00839 ../program/vina --receptor ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00839.pdbqt --center_x -6.342 --center_y 10.548 --center_z 3.837 --size_x 17 --size_y 17 --size_z 17 --num_modes 1 --exhaustiveness 8 --out ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/DB00839_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1362368013 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.9 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00715 ../program/vina --receptor ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00715.pdbqt --center_x -6.342 --center_y 10.548 --center_z 3.837 --size_x 16 --size_y 16 --size_z 16 --num_modes 1 --exhaustiveness 8 --out ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/DB00715_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 2109246064 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.7 0.000 0.000 Writing output ... done. ***Start*** Calculate DB01624 ../program/vina --receptor ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01624.pdbqt --center_x -6.342 --center_y 10.548 --center_z 3.837 --size_x 17 --size_y 18 --size_z 19 --num_modes 1 --exhaustiveness 8 --out ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/DB01624_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -699406060 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.7 0.000 0.000 Writing output ... done. ***Start*** Calculate DB06237 ../program/vina --receptor ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB06237.pdbqt --center_x -6.342 --center_y 10.548 --center_z 3.837 --size_x 17 --size_y 18 --size_z 19 --num_modes 1 --exhaustiveness 8 --out ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/DB06237_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 796834024 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.6 0.000 0.000 Writing output ... done. ***Start*** Calculate DB04574 ../program/vina --receptor ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB04574.pdbqt --center_x -6.342 --center_y 10.548 --center_z 3.837 --size_x 17 --size_y 17 --size_z 17 --num_modes 1 --exhaustiveness 8 --out ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/DB04574_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1979561920 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.6 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00224 ../program/vina --receptor ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00224.pdbqt --center_x -6.342 --center_y 10.548 --center_z 3.837 --size_x 17 --size_y 18 --size_z 22 --num_modes 1 --exhaustiveness 8 --out ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/DB00224_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1231439502 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.2 0.000 0.000 Writing output ... done. ***Start*** Calculate DB08875 ../program/vina --receptor ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB08875.pdbqt --center_x -6.342 --center_y 10.548 --center_z 3.837 --size_x 17 --size_y 18 --size_z 22 --num_modes 1 --exhaustiveness 8 --out ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/DB08875_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -816709643 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.3 0.000 0.000 Writing output ... done. ***Start*** Calculate DB13953 ../program/vina --receptor ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB13953.pdbqt --center_x -6.342 --center_y 10.548 --center_z 3.837 --size_x 17 --size_y 18 --size_z 19 --num_modes 1 --exhaustiveness 8 --out ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/DB13953_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 716768241 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.5 0.000 0.000 Writing output ... done. ***Start*** Calculate DB09291 ../program/vina --receptor ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB09291.pdbqt --center_x -6.342 --center_y 10.548 --center_z 3.837 --size_x 17 --size_y 18 --size_z 18 --num_modes 1 --exhaustiveness 8 --out ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/DB09291_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -2086902665 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.4 0.000 0.000 Writing output ... done. ***Start*** Calculate DB01100 ../program/vina --receptor ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01100.pdbqt --center_x -6.342 --center_y 10.548 --center_z 3.837 --size_x 17 --size_y 18 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/DB01100_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1291621102 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.3 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00448 ../program/vina --receptor ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00448.pdbqt --center_x -6.342 --center_y 10.548 --center_z 3.837 --size_x 17 --size_y 18 --size_z 19 --num_modes 1 --exhaustiveness 8 --out ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/DB00448_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1552908899 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.5 0.000 0.000 Writing output ... done. ***Start*** Calculate DB01012 ../program/vina --receptor ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01012.pdbqt --center_x -6.342 --center_y 10.548 --center_z 3.837 --size_x 17 --size_y 18 --size_z 19 --num_modes 1 --exhaustiveness 8 --out ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/DB01012_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -57880656 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.5 0.000 0.000 Writing output ... done. ***Start*** Calculate DB13520 ../program/vina --receptor ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB13520.pdbqt --center_x -6.342 --center_y 10.548 --center_z 3.837 --size_x 17 --size_y 18 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/DB13520_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 708869890 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.9 0.000 0.000 Writing output ... done. ***Start*** Calculate DB06603 ../program/vina --receptor ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB06603.pdbqt --center_x -6.342 --center_y 10.548 --center_z 3.837 --size_x 17 --size_y 18 --size_z 22 --num_modes 1 --exhaustiveness 8 --out ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/DB06603_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1201386487 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.8 0.000 0.000 Writing output ... done. ***Start*** Calculate DB01195 ../program/vina --receptor ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01195.pdbqt --center_x -6.342 --center_y 10.548 --center_z 3.837 --size_x 17 --size_y 18 --size_z 18 --num_modes 1 --exhaustiveness 8 --out ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/DB01195_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -435873378 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.3 0.000 0.000 Writing output ... done. ***Start*** Calculate DB01157 ../program/vina --receptor ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01157.pdbqt --center_x -6.342 --center_y 10.548 --center_z 3.837 --size_x 17 --size_y 18 --size_z 19 --num_modes 1 --exhaustiveness 8 --out ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/DB01157_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -856945527 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.3 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00525 ../program/vina --receptor ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00525.pdbqt --center_x -6.342 --center_y 10.548 --center_z 3.837 --size_x 15 --size_y 15 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/DB00525_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 52420790 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.3 0.000 0.000 Writing output ... done. ***Start*** Calculate DB09143 ../program/vina --receptor ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB09143.pdbqt --center_x -6.342 --center_y 10.548 --center_z 3.837 --size_x 22 --size_y 18 --size_z 22 --num_modes 1 --exhaustiveness 8 --out ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/DB09143_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1538773198 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.2 0.000 0.000 Writing output ... done. ***Start*** Calculate DB14914 ../program/vina --receptor ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB14914.pdbqt --center_x -6.342 --center_y 10.548 --center_z 3.837 --size_x 16 --size_y 16 --size_z 16 --num_modes 1 --exhaustiveness 8 --out ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/DB14914_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1985708896 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.3 0.000 0.000 Writing output ... done. ***Start*** Calculate DB11791 ../program/vina --receptor ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB11791.pdbqt --center_x -6.342 --center_y 10.548 --center_z 3.837 --size_x 17 --size_y 17 --size_z 17 --num_modes 1 --exhaustiveness 8 --out ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/DB11791_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -503077406 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.2 0.000 0.000 Writing output ... done. ***Start*** Calculate DB04842 ../program/vina --receptor ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB04842.pdbqt --center_x -6.342 --center_y 10.548 --center_z 3.837 --size_x 17 --size_y 18 --size_z 19 --num_modes 1 --exhaustiveness 8 --out ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/DB04842_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1003141732 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.2 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00358 ../program/vina --receptor ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00358.pdbqt --center_x -6.342 --center_y 10.548 --center_z 3.837 --size_x 16 --size_y 16 --size_z 16 --num_modes 1 --exhaustiveness 8 --out ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/DB00358_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 23725335 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.2 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00216 ../program/vina --receptor ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00216.pdbqt --center_x -6.342 --center_y 10.548 --center_z 3.837 --size_x 17 --size_y 18 --size_z 18 --num_modes 1 --exhaustiveness 8 --out ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/DB00216_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 781804210 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.4 0.000 0.000 Writing output ... done. ***Start*** Calculate DB01110 ../program/vina --receptor ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01110.pdbqt --center_x -6.342 --center_y 10.548 --center_z 3.837 --size_x 17 --size_y 17 --size_z 17 --num_modes 1 --exhaustiveness 8 --out ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/DB01110_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1549816161 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.1 0.000 0.000 Writing output ... done. ***Start*** Calculate DB06249 ../program/vina --receptor ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB06249.pdbqt --center_x -6.342 --center_y 10.548 --center_z 3.837 --size_x 17 --size_y 18 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/DB06249_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1984587020 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.2 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00601 ../program/vina --receptor ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00601.pdbqt --center_x -6.342 --center_y 10.548 --center_z 3.837 --size_x 17 --size_y 18 --size_z 19 --num_modes 1 --exhaustiveness 8 --out ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/DB00601_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -303297610 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.1 0.000 0.000 Writing output ... done. ***Start*** Calculate DB09421 ../program/vina --receptor ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB09421.pdbqt --center_x -6.342 --center_y 10.548 --center_z 3.837 --size_x 16 --size_y 16 --size_z 16 --num_modes 1 --exhaustiveness 8 --out ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/DB09421_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1185555596 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.1 0.000 0.000 Writing output ... done. ***Start*** Calculate DB08909 ../program/vina --receptor ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB08909.pdbqt --center_x -6.342 --center_y 10.548 --center_z 3.837 --size_x 17 --size_y 18 --size_z 22 --num_modes 1 --exhaustiveness 8 --out ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/DB08909_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1943641059 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.2 0.000 0.000 Writing output ... done. ***Start*** Calculate DB14753 ../program/vina --receptor ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB14753.pdbqt --center_x -6.342 --center_y 10.548 --center_z 3.837 --size_x 17 --size_y 18 --size_z 18 --num_modes 1 --exhaustiveness 8 --out ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/DB14753_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -754759402 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.1 0.000 0.000 Writing output ... done. ***Start*** Calculate DB08901 ../program/vina --receptor ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB08901.pdbqt --center_x -6.342 --center_y 10.548 --center_z 3.837 --size_x 22 --size_y 23 --size_z 22 --num_modes 1 --exhaustiveness 8 --out ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/DB08901_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1635216 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.0 0.000 0.000 Writing output ... done. ***Start*** Calculate DB11963 ../program/vina --receptor ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB11963.pdbqt --center_x -6.342 --center_y 10.548 --center_z 3.837 --size_x 17 --size_y 18 --size_z 21 --num_modes 1 --exhaustiveness 8 --out ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/DB11963_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -2038467301 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.0 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00736 ../program/vina --receptor ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00736.pdbqt --center_x -6.342 --center_y 10.548 --center_z 3.837 --size_x 17 --size_y 18 --size_z 19 --num_modes 1 --exhaustiveness 8 --out ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/DB00736_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -524760557 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.0 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00673 ../program/vina --receptor ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00673.pdbqt --center_x -6.342 --center_y 10.548 --center_z 3.837 --size_x 17 --size_y 18 --size_z 18 --num_modes 1 --exhaustiveness 8 --out ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/DB00673_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 962868048 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.1 0.000 0.000 Writing output ... done. ***Start*** Calculate DB08819 ../program/vina --receptor ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB08819.pdbqt --center_x -6.342 --center_y 10.548 --center_z 3.837 --size_x 17 --size_y 17 --size_z 17 --num_modes 1 --exhaustiveness 8 --out ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/DB08819_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -913790900 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.5 0.000 0.000 Writing output ... done. ***Start*** Calculate DB11951 ../program/vina --receptor ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB11951.pdbqt --center_x -6.342 --center_y 10.548 --center_z 3.837 --size_x 17 --size_y 17 --size_z 17 --num_modes 1 --exhaustiveness 8 --out ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/DB11951_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 2104953488 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.0 0.000 0.000 Writing output ... done. ***Start*** Calculate DB09495 ../program/vina --receptor ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB09495.pdbqt --center_x -6.342 --center_y 10.548 --center_z 3.837 --size_x 17 --size_y 18 --size_z 19 --num_modes 1 --exhaustiveness 8 --out ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/DB09495_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1419487666 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.9 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00298 ../program/vina --receptor ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00298.pdbqt --center_x -6.342 --center_y 10.548 --center_z 3.837 --size_x 17 --size_y 18 --size_z 19 --num_modes 1 --exhaustiveness 8 --out ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/DB00298_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -662624454 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.9 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00584 ../program/vina --receptor ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00584.pdbqt --center_x -6.342 --center_y 10.548 --center_z 3.837 --size_x 17 --size_y 18 --size_z 18 --num_modes 1 --exhaustiveness 8 --out ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/DB00584_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 827501480 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.9 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00762 ../program/vina --receptor ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00762.pdbqt --center_x -6.342 --center_y 10.548 --center_z 3.837 --size_x 22 --size_y 23 --size_z 22 --num_modes 1 --exhaustiveness 8 --out ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/DB00762_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1218134528 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.3 0.000 0.000 Writing output ... done. ***Start*** Calculate DB01238 ../program/vina --receptor ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01238.pdbqt --center_x -6.342 --center_y 10.548 --center_z 3.837 --size_x 22 --size_y 23 --size_z 22 --num_modes 1 --exhaustiveness 8 --out ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/DB01238_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -427721028 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.6 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00278 ../program/vina --receptor ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00278.pdbqt --center_x -6.342 --center_y 10.548 --center_z 3.837 --size_x 17 --size_y 18 --size_z 18 --num_modes 1 --exhaustiveness 8 --out ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/DB00278_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1084777415 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.9 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00414 ../program/vina --receptor ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00414.pdbqt --center_x -6.342 --center_y 10.548 --center_z 3.837 --size_x 17 --size_y 17 --size_z 17 --num_modes 1 --exhaustiveness 8 --out ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/DB00414_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -774443040 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.8 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00623 ../program/vina --receptor ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00623.pdbqt --center_x -6.342 --center_y 10.548 --center_z 3.837 --size_x 17 --size_y 18 --size_z 19 --num_modes 1 --exhaustiveness 8 --out ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/DB00623_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -21296050 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.8 0.000 0.000 Writing output ... done. ***Start*** Calculate DB12710 ../program/vina --receptor ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB12710.pdbqt --center_x -6.342 --center_y 10.548 --center_z 3.837 --size_x 17 --size_y 17 --size_z 17 --num_modes 1 --exhaustiveness 8 --out ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/DB12710_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1489970666 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.8 0.000 0.000 Writing output ... done. ***Start*** Calculate DB06210 ../program/vina --receptor ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB06210.pdbqt --center_x -6.342 --center_y 10.548 --center_z 3.837 --size_x 17 --size_y 18 --size_z 22 --num_modes 1 --exhaustiveness 8 --out ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/DB06210_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 549806992 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -10.0 0.000 0.000 Writing output ... done. ***Start*** Calculate DB11952 ../program/vina --receptor ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB11952.pdbqt --center_x -6.342 --center_y 10.548 --center_z 3.837 --size_x 16 --size_y 16 --size_z 16 --num_modes 1 --exhaustiveness 8 --out ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/DB11952_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 2064623760 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.3 0.000 0.000 Writing output ... done. ***Start*** Calculate DB12978 ../program/vina --receptor ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB12978.pdbqt --center_x -6.342 --center_y 10.548 --center_z 3.837 --size_x 17 --size_y 18 --size_z 21 --num_modes 1 --exhaustiveness 8 --out ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/DB12978_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -436327989 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.2 0.000 0.000 Writing output ... done. ***Start*** Calculate DB04861 ../program/vina --receptor ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB04861.pdbqt --center_x -6.342 --center_y 10.548 --center_z 3.837 --size_x 17 --size_y 18 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/DB04861_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1364086648 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.2 0.000 0.000 Writing output ... done. ***Start*** Calculate DB11263 ../program/vina --receptor ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB11263.pdbqt --center_x -6.342 --center_y 10.548 --center_z 3.837 --size_x 17 --size_y 18 --size_z 18 --num_modes 1 --exhaustiveness 8 --out ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/DB11263_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1421015063 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.0 0.000 0.000 Writing output ... done. ***Start*** Calculate DB11732 ../program/vina --receptor ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB11732.pdbqt --center_x -6.342 --center_y 10.548 --center_z 3.837 --size_x 17 --size_y 18 --size_z 18 --num_modes 1 --exhaustiveness 8 --out ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/DB11732_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 92574413 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.9 0.000 0.000 Writing output ... done. ***Start*** Calculate DB09128 ../program/vina --receptor ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB09128.pdbqt --center_x -6.342 --center_y 10.548 --center_z 3.837 --size_x 22 --size_y 23 --size_z 22 --num_modes 1 --exhaustiveness 8 --out ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/DB09128_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1586323801 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.7 0.000 0.000 Writing output ... done. ***Start*** Calculate DB04835 ../program/vina --receptor ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB04835.pdbqt --center_x -6.342 --center_y 10.548 --center_z 3.837 --size_x 17 --size_y 18 --size_z 21 --num_modes 1 --exhaustiveness 8 --out ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/DB04835_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1193807250 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.8 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00757 ../program/vina --receptor ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00757.pdbqt --center_x -6.342 --center_y 10.548 --center_z 3.837 --size_x 17 --size_y 18 --size_z 19 --num_modes 1 --exhaustiveness 8 --out ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/DB00757_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1438842695 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.7 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00656 ../program/vina --receptor ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00656.pdbqt --center_x -6.342 --center_y 10.548 --center_z 3.837 --size_x 17 --size_y 18 --size_z 19 --num_modes 1 --exhaustiveness 8 --out ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/DB00656_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 48713712 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.6 0.000 0.000 Writing output ... done. ***Start*** Calculate DB13931 ../program/vina --receptor ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB13931.pdbqt --center_x -6.342 --center_y 10.548 --center_z 3.837 --size_x 17 --size_y 18 --size_z 21 --num_modes 1 --exhaustiveness 8 --out ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/DB13931_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1542473918 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.5 0.000 0.000 Writing output ... done. ***Start*** Calculate DB01166 ../program/vina --receptor ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01166.pdbqt --center_x -6.342 --center_y 10.548 --center_z 3.837 --size_x 17 --size_y 17 --size_z 17 --num_modes 1 --exhaustiveness 8 --out ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/DB01166_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -490759904 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.5 0.000 0.000 Writing output ... done. ***Start*** Calculate DB12867 ../program/vina --receptor ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB12867.pdbqt --center_x -6.342 --center_y 10.548 --center_z 3.837 --size_x 17 --size_y 18 --size_z 19 --num_modes 1 --exhaustiveness 8 --out ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/DB12867_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1163163728 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.6 0.000 0.000 Writing output ... done. ***Start*** Calculate DB01153 ../program/vina --receptor ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01153.pdbqt --center_x -6.342 --center_y 10.548 --center_z 3.837 --size_x 17 --size_y 17 --size_z 17 --num_modes 1 --exhaustiveness 8 --out ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/DB01153_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1931138250 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.5 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00222 ../program/vina --receptor ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00222.pdbqt --center_x -6.342 --center_y 10.548 --center_z 3.837 --size_x 22 --size_y 23 --size_z 22 --num_modes 1 --exhaustiveness 8 --out ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/DB00222_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1604537712 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.6 0.000 0.000 Writing output ... done. ***Start*** Calculate DB11712 ../program/vina --receptor ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB11712.pdbqt --center_x -6.342 --center_y 10.548 --center_z 3.837 --size_x 17 --size_y 18 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/DB11712_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -224834144 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.6 0.000 0.000 Writing output ... done. ***Start*** Calculate DB13947 ../program/vina --receptor ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB13947.pdbqt --center_x -6.342 --center_y 10.548 --center_z 3.837 --size_x 22 --size_y 23 --size_z 22 --num_modes 1 --exhaustiveness 8 --out ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/DB13947_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1458693928 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.4 0.000 0.000 Writing output ... done. ***Start*** Calculate DB08896 ../program/vina --receptor ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB08896.pdbqt --center_x -6.342 --center_y 10.548 --center_z 3.837 --size_x 17 --size_y 18 --size_z 22 --num_modes 1 --exhaustiveness 8 --out ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/DB08896_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -522394692 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.3 0.000 0.000 Writing output ... done. ***Start*** Calculate DB06401 ../program/vina --receptor ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB06401.pdbqt --center_x -6.342 --center_y 10.548 --center_z 3.837 --size_x 17 --size_y 18 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/DB06401_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -797328820 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.2 0.000 0.000 Writing output ... done. ***Start*** Calculate DB01126 ../program/vina --receptor ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01126.pdbqt --center_x -6.342 --center_y 10.548 --center_z 3.837 --size_x 17 --size_y 18 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/DB01126_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1943318312 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.1 0.000 0.000 Writing output ... done. ***Start*** Calculate DB01267 ../program/vina --receptor ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01267.pdbqt --center_x -6.342 --center_y 10.548 --center_z 3.837 --size_x 17 --size_y 18 --size_z 22 --num_modes 1 --exhaustiveness 8 --out ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/DB01267_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 304818367 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.1 0.000 0.000 Writing output ... done. ***Start*** Calculate DB12941 ../program/vina --receptor ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB12941.pdbqt --center_x -6.342 --center_y 10.548 --center_z 3.837 --size_x 17 --size_y 17 --size_z 17 --num_modes 1 --exhaustiveness 8 --out ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/DB12941_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1447583093 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.3 0.000 0.000 Writing output ... done. ***Start*** Calculate DB11942 ../program/vina --receptor ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB11942.pdbqt --center_x -6.342 --center_y 10.548 --center_z 3.837 --size_x 16 --size_y 16 --size_z 16 --num_modes 1 --exhaustiveness 8 --out ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/DB11942_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 796838074 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.3 0.000 0.000 Writing output ... done. ***Start*** Calculate DB01393 ../program/vina --receptor ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01393.pdbqt --center_x -6.342 --center_y 10.548 --center_z 3.837 --size_x 17 --size_y 18 --size_z 18 --num_modes 1 --exhaustiveness 8 --out ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/DB01393_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1246255257 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.3 0.000 0.000 Writing output ... done. ***Start*** Calculate DB08865 ../program/vina --receptor ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB08865.pdbqt --center_x -6.342 --center_y 10.548 --center_z 3.837 --size_x 17 --size_y 18 --size_z 18 --num_modes 1 --exhaustiveness 8 --out ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/DB08865_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 257480047 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.2 0.000 0.000 Writing output ... done. ***Start*** Calculate DB01601 ../program/vina --receptor ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01601.pdbqt --center_x -6.342 --center_y 10.548 --center_z 3.837 --size_x 17 --size_y 18 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/DB01601_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -749249752 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.2 0.000 0.000 Writing output ... done. ***Start*** Calculate DB12612 ../program/vina --receptor ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB12612.pdbqt --center_x -6.342 --center_y 10.548 --center_z 3.837 --size_x 17 --size_y 18 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/DB12612_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 433679150 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.4 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00878 ../program/vina --receptor ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00878.pdbqt --center_x -6.342 --center_y 10.548 --center_z 3.837 --size_x 22 --size_y 23 --size_z 22 --num_modes 1 --exhaustiveness 8 --out ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/DB00878_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1760685691 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.1 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00178 ../program/vina --receptor ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00178.pdbqt --center_x -6.342 --center_y 10.548 --center_z 3.837 --size_x 17 --size_y 17 --size_z 17 --num_modes 1 --exhaustiveness 8 --out ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/DB00178_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 234559776 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.1 0.000 0.000 Writing output ... done. ***Start*** Calculate DB13874 ../program/vina --receptor ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB13874.pdbqt --center_x -6.342 --center_y 10.548 --center_z 3.837 --size_x 17 --size_y 18 --size_z 18 --num_modes 1 --exhaustiveness 8 --out ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/DB13874_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1494223604 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.0 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00831 ../program/vina --receptor ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00831.pdbqt --center_x -6.342 --center_y 10.548 --center_z 3.837 --size_x 17 --size_y 17 --size_z 17 --num_modes 1 --exhaustiveness 8 --out ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/DB00831_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 756457042 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.1 0.000 0.000 Writing output ... done. ***Start*** Calculate DB05154 ../program/vina --receptor ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB05154.pdbqt --center_x -6.342 --center_y 10.548 --center_z 3.837 --size_x 17 --size_y 18 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/DB05154_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1514550272 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.1 0.000 0.000 Writing output ... done. ***Start*** Calculate DB01274 ../program/vina --receptor ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01274.pdbqt --center_x -6.342 --center_y 10.548 --center_z 3.837 --size_x 16 --size_y 16 --size_z 16 --num_modes 1 --exhaustiveness 8 --out ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/DB01274_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1289065848 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.1 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00619 ../program/vina --receptor ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00619.pdbqt --center_x -6.342 --center_y 10.548 --center_z 3.837 --size_x 17 --size_y 18 --size_z 21 --num_modes 1 --exhaustiveness 8 --out ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/DB00619_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 218432588 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.8 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00338 ../program/vina --receptor ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00338.pdbqt --center_x -6.342 --center_y 10.548 --center_z 3.837 --size_x 17 --size_y 18 --size_z 19 --num_modes 1 --exhaustiveness 8 --out ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/DB00338_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1660712232 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.0 0.000 0.000 Writing output ... done. ***Start*** Calculate DB09078 ../program/vina --receptor ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB09078.pdbqt --center_x -6.342 --center_y 10.548 --center_z 3.837 --size_x 17 --size_y 18 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/DB09078_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -170595343 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.0 0.000 0.000 Writing output ... done. ***Start*** Calculate DB01219 ../program/vina --receptor ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01219.pdbqt --center_x -6.342 --center_y 10.548 --center_z 3.837 --size_x 17 --size_y 18 --size_z 19 --num_modes 1 --exhaustiveness 8 --out ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/DB01219_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 599927046 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.0 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00950 ../program/vina --receptor ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00950.pdbqt --center_x -6.342 --center_y 10.548 --center_z 3.837 --size_x 17 --size_y 18 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/DB00950_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1350576691 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.9 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00213 ../program/vina --receptor ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00213.pdbqt --center_x -6.342 --center_y 10.548 --center_z 3.837 --size_x 17 --size_y 18 --size_z 19 --num_modes 1 --exhaustiveness 8 --out ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/DB00213_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 78090439 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.0 0.000 0.000 Writing output ... done. ***Start*** Calculate DB05015 ../program/vina --receptor ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB05015.pdbqt --center_x -6.342 --center_y 10.548 --center_z 3.837 --size_x 15 --size_y 15 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/DB05015_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1574428509 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.0 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00665 ../program/vina --receptor ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00665.pdbqt --center_x -6.342 --center_y 10.548 --center_z 3.837 --size_x 15 --size_y 15 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/DB00665_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -186621252 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.9 0.000 0.000 Writing output ... done. ***Start*** Calculate DB11748 ../program/vina --receptor ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB11748.pdbqt --center_x -6.342 --center_y 10.548 --center_z 3.837 --size_x 17 --size_y 17 --size_z 17 --num_modes 1 --exhaustiveness 8 --out ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/DB11748_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1956366574 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.9 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00843 ../program/vina --receptor ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00843.pdbqt --center_x -6.342 --center_y 10.548 --center_z 3.837 --size_x 17 --size_y 18 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/DB00843_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 325421648 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.0 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00287 ../program/vina --receptor ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00287.pdbqt --center_x -6.342 --center_y 10.548 --center_z 3.837 --size_x 17 --size_y 18 --size_z 18 --num_modes 1 --exhaustiveness 8 --out ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/DB00287_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1824254304 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.8 0.000 0.000 Writing output ... done. ***Start*** Calculate DB09080 ../program/vina --receptor ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB09080.pdbqt --center_x -6.342 --center_y 10.548 --center_z 3.837 --size_x 17 --size_y 18 --size_z 19 --num_modes 1 --exhaustiveness 8 --out ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/DB09080_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 721910976 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.9 0.000 0.000 Writing output ... done. ***Start*** Calculate DB09299 ../program/vina --receptor ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB09299.pdbqt --center_x -6.342 --center_y 10.548 --center_z 3.837 --size_x 17 --size_y 18 --size_z 18 --num_modes 1 --exhaustiveness 8 --out ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/DB09299_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -2059303128 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.1 0.000 0.000 Writing output ... done. ***Start*** Calculate DB09477 ../program/vina --receptor ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB09477.pdbqt --center_x -6.342 --center_y 10.548 --center_z 3.837 --size_x 17 --size_y 18 --size_z 18 --num_modes 1 --exhaustiveness 8 --out ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/DB09477_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -2004766382 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.9 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00841 ../program/vina --receptor ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00841.pdbqt --center_x -6.342 --center_y 10.548 --center_z 3.837 --size_x 17 --size_y 17 --size_z 17 --num_modes 1 --exhaustiveness 8 --out ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/DB00841_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1239187720 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.9 0.000 0.000 Writing output ... done. ***Start*** Calculate DB05016 ../program/vina --receptor ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB05016.pdbqt --center_x -6.342 --center_y 10.548 --center_z 3.837 --size_x 16 --size_y 16 --size_z 16 --num_modes 1 --exhaustiveness 8 --out ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/DB05016_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -478578670 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.9 0.000 0.000 Writing output ... done. ***Start*** Calculate DB04908 ../program/vina --receptor ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB04908.pdbqt --center_x -6.342 --center_y 10.548 --center_z 3.837 --size_x 17 --size_y 18 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/fahia.nowshin@g.bracu.ac.bd/bd-screen/20260424010205/screen/DB04908_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 267118412 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.6 0.000 0.000 Writing output ... done.