***Start*** ***Start*** Calculate TMA1644 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/TMA1644.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/TMA1644_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: 2057846071 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 T2972 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T2972.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/T2972_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: -1791704545 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 T2776 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T2776.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/T2776_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: -976273686 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 -4.7 0.000 0.000 Writing output ... done. ***Start*** Calculate T2847 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T2847.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/T2847_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: 236624273 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 TN2108 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/TN2108.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/TN2108_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: 1052059674 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 T1035 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T1035.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/T1035_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: -1597283648 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 T5S2357 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T5S2357.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/T5S2357_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: -1576651182 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 T3683 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T3683.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/T3683_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: 1835981219 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 T0228 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T0228.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/T0228_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: 998899755 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 T1011 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T1011.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/T1011_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: 863800456 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 T2895 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T2895.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/T2895_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: -724351885 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 T6S0923 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T6S0923.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/T6S0923_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: 1877773586 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 T4923 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T4923.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/T4923_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: -657059530 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 TN1891 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/TN1891.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/TN1891_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: 176107992 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 T2737 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T2737.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/T2737_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: 1811938646 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 -5.1 0.000 0.000 Writing output ... done. ***Start*** Calculate TN2167 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/TN2167.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/TN2167_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: 625100910 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 T6S0653 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T6S0653.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/T6S0653_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: -1224469054 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 T3212 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T3212.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/T3212_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: -642281850 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 -5.1 0.000 0.000 Writing output ... done. ***Start*** Calculate T8852 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T8852.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/T8852_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: -1566832924 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 T3S1955 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T3S1955.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/T3S1955_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: -177658220 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 T5S0055 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T5S0055.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/T5S0055_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: 1453288776 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 -5.1 0.000 0.000 Writing output ... done. ***Start*** Calculate TN1111 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/TN1111.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/TN1111_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: -2025219481 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 T2913 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T2913.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/T2913_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: -395255596 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 -4.7 0.000 0.000 Writing output ... done. ***Start*** Calculate TN2082 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/TN2082.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/TN2082_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: 214454956 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 -5.1 0.000 0.000 Writing output ... done. ***Start*** Calculate T5S1058 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T5S1058.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/T5S1058_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: 1959865373 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 -4.8 0.000 0.000 Writing output ... done. ***Start*** Calculate T6S0214 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T6S0214.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/T6S0214_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: -707102262 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 T6S1369 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T6S1369.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/T6S1369_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: -627020432 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 TN1012 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/TN1012.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/TN1012_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: 1992879216 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 T1009 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T1009.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/T1009_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: -1478724845 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 T1286 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T1286.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/T1286_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: -664230156 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 T4037 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T4037.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/T4037_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: 155192328 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 T3S1088 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T3S1088.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/T3S1088_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: 978557480 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 -5.1 0.000 0.000 Writing output ... done. ***Start*** Calculate T8892 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T8892.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/T8892_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: -585135600 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 -5.1 0.000 0.000 Writing output ... done. ***Start*** Calculate T6S1141 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T6S1141.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/T6S1141_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: 258931915 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 -5.1 0.000 0.000 Writing output ... done. ***Start*** Calculate T5165 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T5165.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/T5165_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: 2034911309 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 T6S1597 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T6S1597.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/T6S1597_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: -1259264728 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 T2755 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T2755.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/T2755_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: -374773587 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 T3931 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T3931.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/T3931_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: 1441637392 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 T5S1262 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T5S1262.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/T5S1262_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: -2029945904 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 -5.1 0.000 0.000 Writing output ... done. ***Start*** Calculate T1737 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T1737.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/T1737_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: -1207546927 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 T8288 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T8288.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/T8288_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: -390076278 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 -4.7 0.000 0.000 Writing output ... done. ***Start*** Calculate TN2435 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/TN2435.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/TN2435_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: 434295634 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 T3672 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T3672.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/T3672_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: 1248809756 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 T8724 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T8724.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/T8724_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: 2078112453 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 T3399 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T3399.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/T3399_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: -1400367948 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 T5S0691 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T5S0691.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/T5S0691_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: -579936911 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 T3600 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T3600.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/T3600_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: 243452624 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 TN2354 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/TN2354.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/TN2354_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: 1072758885 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 T4S2012 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T4S2012.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/T4S2012_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: 1889247940 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 TN6789 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/TN6789.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/TN6789_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: -1590215972 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 T2S2335 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T2S2335.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/T2S2335_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: -148351307 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 TN7070 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/TN7070.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/TN7070_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: 858636575 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 -5.1 0.000 0.000 Writing output ... done. ***Start*** Calculate T5S1028 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T5S1028.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/T5S1028_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: 1693731848 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 -5.1 0.000 0.000 Writing output ... done. ***Start*** Calculate T4S2164 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T4S2164.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/T4S2164_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: -91024440 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 T6S0139 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T6S0139.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/T6S0139_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: 1880280288 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 T5S2129 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T5S2129.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/T5S2129_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: -777912842 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 T5S0662 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T5S0662.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 9 --size_y 9 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/T5S0662_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: 1906810365 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 T5814 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T5814.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/T5814_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: 1019557032 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 T0690 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T0690.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/T0690_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: -1612068548 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 T2791 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T2791.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/T2791_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: -786789729 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 T3S0804 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T3S0804.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/T3S0804_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: 1870417240 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 T8716 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T8716.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/T8716_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: -1609103888 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 T6169 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T6169.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/T6169_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: -784803250 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 T6S1652 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T6S1652.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/T6S1652_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: 30643809 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 -5.1 0.000 0.000 Writing output ... done. ***Start*** Calculate T2868 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T2868.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/T2868_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: 1040270585 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 -5.1 0.000 0.000 Writing output ... done. ***Start*** Calculate T6S0221 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T6S0221.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/T6S0221_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: 1855721760 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 T1048 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T1048.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/T1048_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: 1001403922 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 -5.1 0.000 0.000 Writing output ... done. ***Start*** Calculate T3S0128 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T3S0128.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/T3S0128_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: -1666588882 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 TN2027 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/TN2027.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/TN2027_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: -848180352 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 -5.1 0.000 0.000 Writing output ... done. ***Start*** Calculate TN6723 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/TN6723.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/TN6723_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: -32723993 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 T2S0820 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T2S0820.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/T2S0820_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: 827023760 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 -5.1 0.000 0.000 Writing output ... done. ***Start*** Calculate T1719 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T1719.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/T1719_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: 1645434801 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 -5.1 0.000 0.000 Writing output ... done. ***Start*** Calculate T4S0590 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T4S0590.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/T4S0590_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: -1825215168 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 -5.1 0.000 0.000 Writing output ... done. ***Start*** Calculate T3040 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T3040.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/T3040_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: -1006802993 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 T6491 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T6491.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/T6491_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: -187405978 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 T2803 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T2803.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 9 --size_y 9 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/T2803_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: 1439576776 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 -3.7 0.000 0.000 Writing output ... done. ***Start*** Calculate T9218 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T9218.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/T9218_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: -2036976644 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 T7035 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T7035.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/T7035_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: -402116412 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 T1166 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T1166.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 9 --size_y 9 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/T1166_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: 414329836 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 T1571 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T1571.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/T1571_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: -1284405824 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 TN1129 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/TN1129.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/TN1129_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: -465989671 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 T6S1572 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T6S1572.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/T6S1572_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: 360303752 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 TN1860 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/TN1860.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/TN1860_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: 1176751843 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 -5.1 0.000 0.000 Writing output ... done. ***Start*** Calculate T2781 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T2781.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/T2781_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: 2016831960 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 T6S1292 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T6S1292.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/T6S1292_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: -1462670520 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 T1424 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T1424.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/T1424_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: 169244817 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 TN7027 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/TN7027.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/TN7027_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: 1914637666 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 -5.1 0.000 0.000 Writing output ... done. ***Start*** Calculate T5708 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T5708.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/T5708_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: 1136750068 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 TQ0070 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/TQ0070.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/TQ0070_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: 1957144233 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 T5S1952 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T5S1952.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/T5S1952_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: -1476063176 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 T1238 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T1238.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/T1238_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: -1815498360 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 T3056 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T3056.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/T3056_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: -998055967 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 T6S0654 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T6S0654.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/T6S0654_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: 637815116 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 -4.8 0.000 0.000 Writing output ... done. ***Start*** Calculate T2850 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T2850.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/T2850_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: -1208760064 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 -5.1 0.000 0.000 Writing output ... done. ***Start*** Calculate T5S0053 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T5S0053.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/T5S0053_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: 425145040 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 TN1305 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/TN1305.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/TN1305_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: 1242590781 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 T6062 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T6062.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/T6062_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: 2062992524 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 T3A2467 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T3A2467.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/T3A2467_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: -1416498520 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 T5766 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T5766.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/T5766_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: -597080968 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 T2179 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T2179.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen/T2179_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: -1523565564 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.