***Start*** ***Start*** Calculate DB06718 ../program/vina --receptor ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB06718.pdbqt --center_x -24.508 --center_y 0.540 --center_z -0.141 --size_x 12 --size_y 12 --size_z 9 --num_modes 1 --exhaustiveness 8 --out ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/DB06718_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: 1444770198 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 -6.3 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00894 ../program/vina --receptor ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00894.pdbqt --center_x -24.508 --center_y 0.540 --center_z -0.141 --size_x 12 --size_y 12 --size_z 9 --num_modes 1 --exhaustiveness 8 --out ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/DB00894_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: 800703534 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 -6.2 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00990 ../program/vina --receptor ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00990.pdbqt --center_x -24.508 --center_y 0.540 --center_z -0.141 --size_x 12 --size_y 12 --size_z 9 --num_modes 1 --exhaustiveness 8 --out ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/DB00990_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: -2080068658 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 -6.0 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00751 ../program/vina --receptor ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00751.pdbqt --center_x -24.508 --center_y 0.540 --center_z -0.141 --size_x 12 --size_y 12 --size_z 9 --num_modes 1 --exhaustiveness 8 --out ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/DB00751_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: -1365999264 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 -6.0 0.000 0.000 Writing output ... done. ***Start*** Calculate DB06710 ../program/vina --receptor ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB06710.pdbqt --center_x -24.508 --center_y 0.540 --center_z -0.141 --size_x 12 --size_y 12 --size_z 9 --num_modes 1 --exhaustiveness 8 --out ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/DB06710_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: -655415440 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 -5.9 0.000 0.000 Writing output ... done. ***Start*** Calculate DB13158 ../program/vina --receptor ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB13158.pdbqt --center_x -24.508 --center_y 0.540 --center_z -0.141 --size_x 12 --size_y 12 --size_z 9 --num_modes 1 --exhaustiveness 8 --out ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/DB13158_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: 62140496 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 -5.9 0.000 0.000 Writing output ... done. ***Start*** Calculate DB06412 ../program/vina --receptor ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB06412.pdbqt --center_x -24.508 --center_y 0.540 --center_z -0.141 --size_x 12 --size_y 12 --size_z 9 --num_modes 1 --exhaustiveness 8 --out ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/DB06412_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: 1492024580 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 -5.9 0.000 0.000 Writing output ... done. ***Start*** Calculate DB09389 ../program/vina --receptor ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB09389.pdbqt --center_x -24.508 --center_y 0.540 --center_z -0.141 --size_x 12 --size_y 12 --size_z 9 --num_modes 1 --exhaustiveness 8 --out ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/DB09389_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: -2081899455 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 -5.3 0.000 0.000 Writing output ... done. ***Start*** Calculate DB09095 ../program/vina --receptor ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB09095.pdbqt --center_x -24.508 --center_y 0.540 --center_z -0.141 --size_x 12 --size_y 12 --size_z 9 --num_modes 1 --exhaustiveness 8 --out ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/DB09095_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: -1359112572 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 -5.7 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00525 ../program/vina --receptor ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00525.pdbqt --center_x -24.508 --center_y 0.540 --center_z -0.141 --size_x 12 --size_y 12 --size_z 9 --num_modes 1 --exhaustiveness 8 --out ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/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: 74261024 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 -5.8 0.000 0.000 Writing output ... done. ***Start*** Calculate DB09383 ../program/vina --receptor ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB09383.pdbqt --center_x -24.508 --center_y 0.540 --center_z -0.141 --size_x 12 --size_y 12 --size_z 9 --num_modes 1 --exhaustiveness 8 --out ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/DB09383_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: 802278989 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 -5.8 0.000 0.000 Writing output ... done. ***Start*** Calculate DB12332 ../program/vina --receptor ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB12332.pdbqt --center_x -24.508 --center_y 0.540 --center_z -0.141 --size_x 12 --size_y 12 --size_z 9 --num_modes 1 --exhaustiveness 8 --out ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/DB12332_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: -237840370 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 -5.8 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00624 ../program/vina --receptor ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00624.pdbqt --center_x -24.508 --center_y 0.540 --center_z -0.141 --size_x 12 --size_y 12 --size_z 9 --num_modes 1 --exhaustiveness 8 --out ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/DB00624_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: 1900897012 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 -5.6 0.000 0.000 Writing output ... done. ***Start*** Calculate DB01192 ../program/vina --receptor ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01192.pdbqt --center_x -24.508 --center_y 0.540 --center_z -0.141 --size_x 12 --size_y 12 --size_z 9 --num_modes 1 --exhaustiveness 8 --out ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/DB01192_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: -1681738381 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 -5.6 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00209 ../program/vina --receptor ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00209.pdbqt --center_x -24.508 --center_y 0.540 --center_z -0.141 --size_x 12 --size_y 12 --size_z 9 --num_modes 1 --exhaustiveness 8 --out ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/DB00209_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: -260560675 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 -5.7 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00396 ../program/vina --receptor ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00396.pdbqt --center_x -24.508 --center_y 0.540 --center_z -0.141 --size_x 12 --size_y 12 --size_z 9 --num_modes 1 --exhaustiveness 8 --out ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/DB00396_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: -1685272959 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 -5.8 0.000 0.000 Writing output ... done. ***Start*** Calculate DB01501 ../program/vina --receptor ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01501.pdbqt --center_x -24.508 --center_y 0.540 --center_z -0.141 --size_x 12 --size_y 12 --size_z 9 --num_modes 1 --exhaustiveness 8 --out ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/DB01501_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: -265835414 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 -5.2 0.000 0.000 Writing output ... done. ***Start*** Calculate DB06230 ../program/vina --receptor ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB06230.pdbqt --center_x -24.508 --center_y 0.540 --center_z -0.141 --size_x 12 --size_y 12 --size_z 9 --num_modes 1 --exhaustiveness 8 --out ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/DB06230_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: -1492907907 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 -5.7 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00378 ../program/vina --receptor ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00378.pdbqt --center_x -24.508 --center_y 0.540 --center_z -0.141 --size_x 12 --size_y 12 --size_z 9 --num_modes 1 --exhaustiveness 8 --out ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/DB00378_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: -766621608 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 -5.6 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00735 ../program/vina --receptor ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00735.pdbqt --center_x -24.508 --center_y 0.540 --center_z -0.141 --size_x 12 --size_y 12 --size_z 9 --num_modes 1 --exhaustiveness 8 --out ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/DB00735_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: 654564804 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 -5.7 0.000 0.000 Writing output ... done. ***Start*** Calculate DB04838 ../program/vina --receptor ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB04838.pdbqt --center_x -24.508 --center_y 0.540 --center_z -0.141 --size_x 12 --size_y 12 --size_z 9 --num_modes 1 --exhaustiveness 8 --out ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/DB04838_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: 1387828007 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 -5.5 0.000 0.000 Writing output ... done. ***Start*** Calculate DB05812 ../program/vina --receptor ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB05812.pdbqt --center_x -24.508 --center_y 0.540 --center_z -0.141 --size_x 12 --size_y 12 --size_z 9 --num_modes 1 --exhaustiveness 8 --out ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/DB05812_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: -1477231504 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 -5.6 0.000 0.000 Writing output ... done. ***Start*** Calculate DB01185 ../program/vina --receptor ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01185.pdbqt --center_x -24.508 --center_y 0.540 --center_z -0.141 --size_x 12 --size_y 12 --size_z 9 --num_modes 1 --exhaustiveness 8 --out ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/DB01185_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: -49066244 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 -5.6 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00714 ../program/vina --receptor ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00714.pdbqt --center_x -24.508 --center_y 0.540 --center_z -0.141 --size_x 12 --size_y 12 --size_z 9 --num_modes 1 --exhaustiveness 8 --out ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/DB00714_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: 1372124380 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 -5.6 0.000 0.000 Writing output ... done. ***Start*** Calculate DB08910 ../program/vina --receptor ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB08910.pdbqt --center_x -24.508 --center_y 0.540 --center_z -0.141 --size_x 12 --size_y 12 --size_z 9 --num_modes 1 --exhaustiveness 8 --out ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/DB08910_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: 2086208036 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 -5.6 0.000 0.000 Writing output ... done. ***Start*** Calculate DB04825 ../program/vina --receptor ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB04825.pdbqt --center_x -24.508 --center_y 0.540 --center_z -0.141 --size_x 12 --size_y 12 --size_z 9 --num_modes 1 --exhaustiveness 8 --out ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/DB04825_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: -1489443169 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 -5.6 0.000 0.000 Writing output ... done. ***Start*** Calculate DB05013 ../program/vina --receptor ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB05013.pdbqt --center_x -24.508 --center_y 0.540 --center_z -0.141 --size_x 12 --size_y 12 --size_z 9 --num_modes 1 --exhaustiveness 8 --out ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/DB05013_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: 673740374 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 -5.6 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00298 ../program/vina --receptor ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00298.pdbqt --center_x -24.508 --center_y 0.540 --center_z -0.141 --size_x 12 --size_y 12 --size_z 9 --num_modes 1 --exhaustiveness 8 --out ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/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: -1445829126 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 -5.5 0.000 0.000 Writing output ... done. ***Start*** Calculate DB01058 ../program/vina --receptor ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01058.pdbqt --center_x -24.508 --center_y 0.540 --center_z -0.141 --size_x 12 --size_y 12 --size_z 9 --num_modes 1 --exhaustiveness 8 --out ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/DB01058_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: -5444699 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 -5.5 0.000 0.000 Writing output ... done. ***Start*** Calculate DB04908 ../program/vina --receptor ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB04908.pdbqt --center_x -24.508 --center_y 0.540 --center_z -0.141 --size_x 12 --size_y 12 --size_z 9 --num_modes 1 --exhaustiveness 8 --out ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/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: -1803485285 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 -5.5 0.000 0.000 Writing output ... done. ***Start*** Calculate DB12877 ../program/vina --receptor ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB12877.pdbqt --center_x -24.508 --center_y 0.540 --center_z -0.141 --size_x 12 --size_y 12 --size_z 9 --num_modes 1 --exhaustiveness 8 --out ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/DB12877_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: -1457513312 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 -4.9 0.000 0.000 Writing output ... done. ***Start*** Calculate DB13292 ../program/vina --receptor ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB13292.pdbqt --center_x -24.508 --center_y 0.540 --center_z -0.141 --size_x 12 --size_y 12 --size_z 9 --num_modes 1 --exhaustiveness 8 --out ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/DB13292_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: 2142596243 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 -5.4 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00712 ../program/vina --receptor ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00712.pdbqt --center_x -24.508 --center_y 0.540 --center_z -0.141 --size_x 12 --size_y 12 --size_z 9 --num_modes 1 --exhaustiveness 8 --out ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/DB00712_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: -1438279096 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 -5.2 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00904 ../program/vina --receptor ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00904.pdbqt --center_x -24.508 --center_y 0.540 --center_z -0.141 --size_x 12 --size_y 12 --size_z 9 --num_modes 1 --exhaustiveness 8 --out ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/DB00904_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: -15328028 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 -5.5 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00384 ../program/vina --receptor ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00384.pdbqt --center_x -24.508 --center_y 0.540 --center_z -0.141 --size_x 12 --size_y 12 --size_z 9 --num_modes 1 --exhaustiveness 8 --out ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/DB00384_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: 1409368672 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 -5.5 0.000 0.000 Writing output ... done. ***Start*** Calculate DB01091 ../program/vina --receptor ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01091.pdbqt --center_x -24.508 --center_y 0.540 --center_z -0.141 --size_x 12 --size_y 12 --size_z 9 --num_modes 1 --exhaustiveness 8 --out ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/DB01091_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: 2126951488 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 -5.5 0.000 0.000 Writing output ... done. ***Start*** Calculate DB02266 ../program/vina --receptor ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB02266.pdbqt --center_x -24.508 --center_y 0.540 --center_z -0.141 --size_x 12 --size_y 12 --size_z 9 --num_modes 1 --exhaustiveness 8 --out ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/DB02266_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: 845878124 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 -5.5 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00771 ../program/vina --receptor ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00771.pdbqt --center_x -24.508 --center_y 0.540 --center_z -0.141 --size_x 12 --size_y 12 --size_z 9 --num_modes 1 --exhaustiveness 8 --out ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/DB00771_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: -2020898976 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 -5.2 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00635 ../program/vina --receptor ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00635.pdbqt --center_x -24.508 --center_y 0.540 --center_z -0.141 --size_x 12 --size_y 12 --size_z 9 --num_modes 1 --exhaustiveness 8 --out ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/DB00635_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: -571768792 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 -5.5 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00854 ../program/vina --receptor ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00854.pdbqt --center_x -24.508 --center_y 0.540 --center_z -0.141 --size_x 12 --size_y 12 --size_z 9 --num_modes 1 --exhaustiveness 8 --out ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/DB00854_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: 856424644 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 -5.4 0.000 0.000 Writing output ... done. ***Start*** Calculate DB01708 ../program/vina --receptor ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01708.pdbqt --center_x -24.508 --center_y 0.540 --center_z -0.141 --size_x 12 --size_y 12 --size_z 9 --num_modes 1 --exhaustiveness 8 --out ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/DB01708_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: 1570521848 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 -5.4 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00693 ../program/vina --receptor ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00693.pdbqt --center_x -24.508 --center_y 0.540 --center_z -0.141 --size_x 12 --size_y 12 --size_z 9 --num_modes 1 --exhaustiveness 8 --out ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/DB00693_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: -1304975198 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 -5.4 0.000 0.000 Writing output ... done. ***Start*** Calculate DB14196 ../program/vina --receptor ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB14196.pdbqt --center_x -24.508 --center_y 0.540 --center_z -0.141 --size_x 12 --size_y 12 --size_z 9 --num_modes 1 --exhaustiveness 8 --out ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/DB14196_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: -585641998 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 -5.4 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00776 ../program/vina --receptor ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00776.pdbqt --center_x -24.508 --center_y 0.540 --center_z -0.141 --size_x 12 --size_y 12 --size_z 9 --num_modes 1 --exhaustiveness 8 --out ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/DB00776_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: 1549673776 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 -5.4 0.000 0.000 Writing output ... done. ***Start*** Calculate DB08905 ../program/vina --receptor ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB08905.pdbqt --center_x -24.508 --center_y 0.540 --center_z -0.141 --size_x 12 --size_y 12 --size_z 9 --num_modes 1 --exhaustiveness 8 --out ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/DB08905_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: -1329310892 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 -5.7 0.000 0.000 Writing output ... done. ***Start*** Calculate DB01183 ../program/vina --receptor ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01183.pdbqt --center_x -24.508 --center_y 0.540 --center_z -0.141 --size_x 12 --size_y 12 --size_z 9 --num_modes 1 --exhaustiveness 8 --out ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/DB01183_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: 88417518 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 -5.8 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00408 ../program/vina --receptor ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00408.pdbqt --center_x -24.508 --center_y 0.540 --center_z -0.141 --size_x 12 --size_y 12 --size_z 9 --num_modes 1 --exhaustiveness 8 --out ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/DB00408_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: 1514873056 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 -5.3 0.000 0.000 Writing output ... done. ***Start*** Calculate DB12938 ../program/vina --receptor ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB12938.pdbqt --center_x -24.508 --center_y 0.540 --center_z -0.141 --size_x 12 --size_y 12 --size_z 9 --num_modes 1 --exhaustiveness 8 --out ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/DB12938_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: -2064248041 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 -5.0 0.000 0.000 Writing output ... done. ***Start*** Calculate DB11614 ../program/vina --receptor ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB11614.pdbqt --center_x -24.508 --center_y 0.540 --center_z -0.141 --size_x 12 --size_y 12 --size_z 9 --num_modes 1 --exhaustiveness 8 --out ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/DB11614_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: -627318378 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 -5.5 0.000 0.000 Writing output ... done. ***Start*** Calculate DB13136 ../program/vina --receptor ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB13136.pdbqt --center_x -24.508 --center_y 0.540 --center_z -0.141 --size_x 12 --size_y 12 --size_z 9 --num_modes 1 --exhaustiveness 8 --out ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/DB13136_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: 1516734082 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 -5.4 0.000 0.000 Writing output ... done. ***Start*** Calculate DB08942 ../program/vina --receptor ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB08942.pdbqt --center_x -24.508 --center_y 0.540 --center_z -0.141 --size_x 12 --size_y 12 --size_z 9 --num_modes 1 --exhaustiveness 8 --out ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/DB08942_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: -41719682 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 -6.2 0.000 0.000 Writing output ... done. ***Start*** Calculate DB14723 ../program/vina --receptor ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB14723.pdbqt --center_x -24.508 --center_y 0.540 --center_z -0.141 --size_x 12 --size_y 12 --size_z 9 --num_modes 1 --exhaustiveness 8 --out ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/DB14723_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: 1509543898 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 -6.1 0.000 0.000 Writing output ... done. ***Start*** Calculate DB08882 ../program/vina --receptor ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB08882.pdbqt --center_x -24.508 --center_y 0.540 --center_z -0.141 --size_x 12 --size_y 12 --size_z 9 --num_modes 1 --exhaustiveness 8 --out ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/DB08882_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: 784925867 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 -6.0 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00596 ../program/vina --receptor ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00596.pdbqt --center_x -24.508 --center_y 0.540 --center_z -0.141 --size_x 12 --size_y 12 --size_z 9 --num_modes 1 --exhaustiveness 8 --out ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/DB00596_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: -631095768 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 -5.9 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00844 ../program/vina --receptor ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00844.pdbqt --center_x -24.508 --center_y 0.540 --center_z -0.141 --size_x 12 --size_y 12 --size_z 9 --num_modes 1 --exhaustiveness 8 --out ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/DB00844_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: 1507636240 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 -5.9 0.000 0.000 Writing output ... done. ***Start*** Calculate DB14914 ../program/vina --receptor ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB14914.pdbqt --center_x -24.508 --center_y 0.540 --center_z -0.141 --size_x 12 --size_y 12 --size_z 9 --num_modes 1 --exhaustiveness 8 --out ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/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: 471004056 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 -6.0 0.000 0.000 Writing output ... done. ***Start*** Calculate DB01426 ../program/vina --receptor ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01426.pdbqt --center_x -24.508 --center_y 0.540 --center_z -0.141 --size_x 12 --size_y 12 --size_z 9 --num_modes 1 --exhaustiveness 8 --out ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/DB01426_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: 1188565379 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 -5.9 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00757 ../program/vina --receptor ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00757.pdbqt --center_x -24.508 --center_y 0.540 --center_z -0.141 --size_x 12 --size_y 12 --size_z 9 --num_modes 1 --exhaustiveness 8 --out ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/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: -976379920 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 -6.2 0.000 0.000 Writing output ... done. ***Start*** Calculate DB01395 ../program/vina --receptor ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01395.pdbqt --center_x -24.508 --center_y 0.540 --center_z -0.141 --size_x 12 --size_y 12 --size_z 9 --num_modes 1 --exhaustiveness 8 --out ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/DB01395_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: 460489394 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 -6.7 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00480 ../program/vina --receptor ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00480.pdbqt --center_x -24.508 --center_y 0.540 --center_z -0.141 --size_x 12 --size_y 12 --size_z 9 --num_modes 1 --exhaustiveness 8 --out ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/DB00480_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: 1178052985 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 -5.8 0.000 0.000 Writing output ... done. ***Start*** Calculate DB01406 ../program/vina --receptor ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01406.pdbqt --center_x -24.508 --center_y 0.540 --center_z -0.141 --size_x 12 --size_y 12 --size_z 9 --num_modes 1 --exhaustiveness 8 --out ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/DB01406_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: 1895617008 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 -5.8 0.000 0.000 Writing output ... done. ***Start*** Calculate DB04794 ../program/vina --receptor ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB04794.pdbqt --center_x -24.508 --center_y 0.540 --center_z -0.141 --size_x 12 --size_y 12 --size_z 9 --num_modes 1 --exhaustiveness 8 --out ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/DB04794_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: -972938896 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 -5.8 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00759 ../program/vina --receptor ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00759.pdbqt --center_x -24.508 --center_y 0.540 --center_z -0.141 --size_x 12 --size_y 12 --size_z 9 --num_modes 1 --exhaustiveness 8 --out ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/DB00759_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: 462191904 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 -5.6 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00547 ../program/vina --receptor ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00547.pdbqt --center_x -24.508 --center_y 0.540 --center_z -0.141 --size_x 12 --size_y 12 --size_z 9 --num_modes 1 --exhaustiveness 8 --out ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/DB00547_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: 2094954338 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 -5.7 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00502 ../program/vina --receptor ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00502.pdbqt --center_x -24.508 --center_y 0.540 --center_z -0.141 --size_x 12 --size_y 12 --size_z 9 --num_modes 1 --exhaustiveness 8 --out ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/DB00502_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: -59516044 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 -5.8 0.000 0.000 Writing output ... done. ***Start*** Calculate DB01420 ../program/vina --receptor ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01420.pdbqt --center_x -24.508 --center_y 0.540 --center_z -0.141 --size_x 12 --size_y 12 --size_z 9 --num_modes 1 --exhaustiveness 8 --out ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/DB01420_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: 2101909800 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 -5.9 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00704 ../program/vina --receptor ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00704.pdbqt --center_x -24.508 --center_y 0.540 --center_z -0.141 --size_x 12 --size_y 12 --size_z 9 --num_modes 1 --exhaustiveness 8 --out ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/DB00704_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: -761405134 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 -5.6 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00415 ../program/vina --receptor ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00415.pdbqt --center_x -24.508 --center_y 0.540 --center_z -0.141 --size_x 12 --size_y 12 --size_z 9 --num_modes 1 --exhaustiveness 8 --out ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/DB00415_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: 668504784 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 -5.6 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00611 ../program/vina --receptor ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00611.pdbqt --center_x -24.508 --center_y 0.540 --center_z -0.141 --size_x 12 --size_y 12 --size_z 9 --num_modes 1 --exhaustiveness 8 --out ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/DB00611_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: -775358784 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 -5.6 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00340 ../program/vina --receptor ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00340.pdbqt --center_x -24.508 --center_y 0.540 --center_z -0.141 --size_x 12 --size_y 12 --size_z 9 --num_modes 1 --exhaustiveness 8 --out ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/DB00340_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: -47321347 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 -5.6 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00223 ../program/vina --receptor ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00223.pdbqt --center_x -24.508 --center_y 0.540 --center_z -0.141 --size_x 12 --size_y 12 --size_z 9 --num_modes 1 --exhaustiveness 8 --out ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/DB00223_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: 1382593620 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 -5.6 0.000 0.000 Writing output ... done. ***Start*** Calculate DB01117 ../program/vina --receptor ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01117.pdbqt --center_x -24.508 --center_y 0.540 --center_z -0.141 --size_x 12 --size_y 12 --size_z 9 --num_modes 1 --exhaustiveness 8 --out ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/DB01117_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: 2121097952 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 -6.6 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00713 ../program/vina --receptor ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00713.pdbqt --center_x -24.508 --center_y 0.540 --center_z -0.141 --size_x 12 --size_y 12 --size_z 9 --num_modes 1 --exhaustiveness 8 --out ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/DB00713_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: -733486186 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 -5.6 0.000 0.000 Writing output ... done. ***Start*** Calculate DB02789 ../program/vina --receptor ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB02789.pdbqt --center_x -24.508 --center_y 0.540 --center_z -0.141 --size_x 12 --size_y 12 --size_z 9 --num_modes 1 --exhaustiveness 8 --out ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/DB02789_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: -1089396844 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 -5.6 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00253 ../program/vina --receptor ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00253.pdbqt --center_x -24.508 --center_y 0.540 --center_z -0.141 --size_x 12 --size_y 12 --size_z 9 --num_modes 1 --exhaustiveness 8 --out ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/DB00253_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: 1405786528 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 -5.6 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00800 ../program/vina --receptor ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00800.pdbqt --center_x -24.508 --center_y 0.540 --center_z -0.141 --size_x 12 --size_y 12 --size_z 9 --num_modes 1 --exhaustiveness 8 --out ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/DB00800_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: 2130341882 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 -5.6 0.000 0.000 Writing output ... done. ***Start*** Calculate DB05016 ../program/vina --receptor ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB05016.pdbqt --center_x -24.508 --center_y 0.540 --center_z -0.141 --size_x 12 --size_y 12 --size_z 9 --num_modes 1 --exhaustiveness 8 --out ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/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: -736445766 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 -5.6 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00497 ../program/vina --receptor ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00497.pdbqt --center_x -24.508 --center_y 0.540 --center_z -0.141 --size_x 12 --size_y 12 --size_z 9 --num_modes 1 --exhaustiveness 8 --out ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/DB00497_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: -11888792 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 -5.5 0.000 0.000 Writing output ... done. ***Start*** Calculate DB01097 ../program/vina --receptor ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01097.pdbqt --center_x -24.508 --center_y 0.540 --center_z -0.141 --size_x 12 --size_y 12 --size_z 9 --num_modes 1 --exhaustiveness 8 --out ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/DB01097_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: 705690946 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 -5.5 0.000 0.000 Writing output ... done. ***Start*** Calculate DB08877 ../program/vina --receptor ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB08877.pdbqt --center_x -24.508 --center_y 0.540 --center_z -0.141 --size_x 12 --size_y 12 --size_z 9 --num_modes 1 --exhaustiveness 8 --out ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/DB08877_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: 1426760112 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 -5.5 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00327 ../program/vina --receptor ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00327.pdbqt --center_x -24.508 --center_y 0.540 --center_z -0.141 --size_x 12 --size_y 12 --size_z 9 --num_modes 1 --exhaustiveness 8 --out ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/DB00327_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: -727675973 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 -5.5 0.000 0.000 Writing output ... done. ***Start*** Calculate DB13956 ../program/vina --receptor ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB13956.pdbqt --center_x -24.508 --center_y 0.540 --center_z -0.141 --size_x 12 --size_y 12 --size_z 9 --num_modes 1 --exhaustiveness 8 --out ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/DB13956_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: 690041655 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 -5.4 0.000 0.000 Writing output ... done. ***Start*** Calculate DB13246 ../program/vina --receptor ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB13246.pdbqt --center_x -24.508 --center_y 0.540 --center_z -0.141 --size_x 12 --size_y 12 --size_z 9 --num_modes 1 --exhaustiveness 8 --out ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/DB13246_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: -1457411416 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 -5.5 0.000 0.000 Writing output ... done. ***Start*** Calculate DB01452 ../program/vina --receptor ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01452.pdbqt --center_x -24.508 --center_y 0.540 --center_z -0.141 --size_x 12 --size_y 12 --size_z 9 --num_modes 1 --exhaustiveness 8 --out ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/DB01452_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: 130038756 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 -5.4 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00564 ../program/vina --receptor ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00564.pdbqt --center_x -24.508 --center_y 0.540 --center_z -0.141 --size_x 12 --size_y 12 --size_z 9 --num_modes 1 --exhaustiveness 8 --out ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/DB00564_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: 1568697110 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 -5.5 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00358 ../program/vina --receptor ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00358.pdbqt --center_x -24.508 --center_y 0.540 --center_z -0.141 --size_x 12 --size_y 12 --size_z 9 --num_modes 1 --exhaustiveness 8 --out ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/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: -1312037984 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 -5.5 0.000 0.000 Writing output ... done. ***Start*** Calculate DB14753 ../program/vina --receptor ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB14753.pdbqt --center_x -24.508 --center_y 0.540 --center_z -0.141 --size_x 12 --size_y 12 --size_z 9 --num_modes 1 --exhaustiveness 8 --out ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/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: 133603174 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 -5.5 0.000 0.000 Writing output ... done. ***Start*** Calculate DB01000 ../program/vina --receptor ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01000.pdbqt --center_x -24.508 --center_y 0.540 --center_z -0.141 --size_x 12 --size_y 12 --size_z 9 --num_modes 1 --exhaustiveness 8 --out ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/DB01000_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: -2019072915 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 -5.5 0.000 0.000 Writing output ... done. ***Start*** Calculate DB01041 ../program/vina --receptor ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01041.pdbqt --center_x -24.508 --center_y 0.540 --center_z -0.141 --size_x 12 --size_y 12 --size_z 9 --num_modes 1 --exhaustiveness 8 --out ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/DB01041_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: 121476128 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 -5.5 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00961 ../program/vina --receptor ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00961.pdbqt --center_x -24.508 --center_y 0.540 --center_z -0.141 --size_x 12 --size_y 12 --size_z 9 --num_modes 1 --exhaustiveness 8 --out ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/DB00961_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: 837319897 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 -5.4 0.000 0.000 Writing output ... done. ***Start*** Calculate DB06148 ../program/vina --receptor ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB06148.pdbqt --center_x -24.508 --center_y 0.540 --center_z -0.141 --size_x 12 --size_y 12 --size_z 9 --num_modes 1 --exhaustiveness 8 --out ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/DB06148_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: -2038174854 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 -5.4 0.000 0.000 Writing output ... done. ***Start*** Calculate DB09091 ../program/vina --receptor ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB09091.pdbqt --center_x -24.508 --center_y 0.540 --center_z -0.141 --size_x 12 --size_y 12 --size_z 9 --num_modes 1 --exhaustiveness 8 --out ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/DB09091_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: -622191983 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 -5.4 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00977 ../program/vina --receptor ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00977.pdbqt --center_x -24.508 --center_y 0.540 --center_z -0.141 --size_x 12 --size_y 12 --size_z 9 --num_modes 1 --exhaustiveness 8 --out ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/DB00977_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: 809498849 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 -5.4 0.000 0.000 Writing output ... done. ***Start*** Calculate DB06803 ../program/vina --receptor ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB06803.pdbqt --center_x -24.508 --center_y 0.540 --center_z -0.141 --size_x 12 --size_y 12 --size_z 9 --num_modes 1 --exhaustiveness 8 --out ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/DB06803_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: -1353637514 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 -5.6 0.000 0.000 Writing output ... done. ***Start*** Calculate DB13114 ../program/vina --receptor ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB13114.pdbqt --center_x -24.508 --center_y 0.540 --center_z -0.141 --size_x 12 --size_y 12 --size_z 9 --num_modes 1 --exhaustiveness 8 --out ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/DB13114_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: 76311208 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 -5.3 0.000 0.000 Writing output ... done. ***Start*** Calculate DB01609 ../program/vina --receptor ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB01609.pdbqt --center_x -24.508 --center_y 0.540 --center_z -0.141 --size_x 12 --size_y 12 --size_z 9 --num_modes 1 --exhaustiveness 8 --out ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/DB01609_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: 797395104 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 -5.6 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00967 ../program/vina --receptor ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00967.pdbqt --center_x -24.508 --center_y 0.540 --center_z -0.141 --size_x 12 --size_y 12 --size_z 9 --num_modes 1 --exhaustiveness 8 --out ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/DB00967_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: 1506793894 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 -5.5 0.000 0.000 Writing output ... done. ***Start*** Calculate DB15091 ../program/vina --receptor ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB15091.pdbqt --center_x -24.508 --center_y 0.540 --center_z -0.141 --size_x 12 --size_y 12 --size_z 9 --num_modes 1 --exhaustiveness 8 --out ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/DB15091_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: -2075815274 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 -5.4 0.000 0.000 Writing output ... done. ***Start*** Calculate DB11793 ../program/vina --receptor ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB11793.pdbqt --center_x -24.508 --center_y 0.540 --center_z -0.141 --size_x 12 --size_y 12 --size_z 9 --num_modes 1 --exhaustiveness 8 --out ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/DB11793_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: -1335528220 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 -5.3 0.000 0.000 Writing output ... done. ***Start*** Calculate DB00214 ../program/vina --receptor ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/receptor.pdbqt --ligand ../lib/pdbqt/fdaapp_new/DB00214.pdbqt --center_x -24.508 --center_y 0.540 --center_z -0.141 --size_x 12 --size_y 12 --size_z 9 --num_modes 1 --exhaustiveness 8 --out ../dock_file/chaurasia@skku.edu/bd-screen/20260411022050/screen/DB00214_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: -607459008 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 -4.3 0.000 0.000 Writing output ... done.