***Start*** ***Start*** Calculate T5S0055 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T5S0055.pdbqt --center_x 5.933 --center_y -6.828 --center_z 32.236 --size_x 13 --size_y 12 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/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: -1977376428 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.7 0.000 0.000 Writing output ... done. ***Start*** Calculate T5740 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T5740.pdbqt --center_x 5.933 --center_y -6.828 --center_z 32.236 --size_x 13 --size_y 12 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/T5740_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 887752712 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.0 0.000 0.000 Writing output ... done. ***Start*** Calculate T5689 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T5689.pdbqt --center_x 5.933 --center_y -6.828 --center_z 32.236 --size_x 13 --size_y 12 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/T5689_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1771903836 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.9 0.000 0.000 Writing output ... done. ***Start*** Calculate T6S1302 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T6S1302.pdbqt --center_x 5.933 --center_y -6.828 --center_z 32.236 --size_x 13 --size_y 12 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/T6S1302_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 668980215 Performing search ... 0% 10 20 30 40 50 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 T3A2467 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T3A2467.pdbqt --center_x 5.933 --center_y -6.828 --center_z 32.236 --size_x 13 --size_y 12 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/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: -1992774770 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.7 0.000 0.000 Writing output ... done. ***Start*** Calculate T2750 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T2750.pdbqt --center_x 5.933 --center_y -6.828 --center_z 32.236 --size_x 13 --size_y 12 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/T2750_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -360612042 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.6 0.000 0.000 Writing output ... done. ***Start*** Calculate TN1027 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/TN1027.pdbqt --center_x 5.933 --center_y -6.828 --center_z 32.236 --size_x 13 --size_y 12 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/TN1027_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1241242052 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -4.6 0.000 0.000 Writing output ... done. ***Start*** Calculate T6S0052 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T6S0052.pdbqt --center_x 5.933 --center_y -6.828 --center_z 32.236 --size_x 13 --size_y 12 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/T6S0052_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -612833209 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.5 0.000 0.000 Writing output ... done. ***Start*** Calculate T2781 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T2781.pdbqt --center_x 5.933 --center_y -6.828 --center_z 32.236 --size_x 13 --size_y 12 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/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: 825518528 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.0 0.000 0.000 Writing output ... done. ***Start*** Calculate T8182 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T8182.pdbqt --center_x 5.933 --center_y -6.828 --center_z 32.236 --size_x 13 --size_y 12 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/T8182_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1833316828 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.4 0.000 0.000 Writing output ... done. ***Start*** Calculate T3S0057 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T3S0057.pdbqt --center_x 5.933 --center_y -6.828 --center_z 32.236 --size_x 13 --size_y 12 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/T3S0057_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -4984589 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.5 0.000 0.000 Writing output ... done. ***Start*** Calculate T7938 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T7938.pdbqt --center_x 5.933 --center_y -6.828 --center_z 32.236 --size_x 13 --size_y 12 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/T7938_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1625084891 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.2 0.000 0.000 Writing output ... done. ***Start*** Calculate T7028 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T7028.pdbqt --center_x 5.933 --center_y -6.828 --center_z 32.236 --size_x 13 --size_y 12 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/T7028_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1559222972 Performing search ... 0% 10 20 30 40 50 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 TN6765 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/TN6765.pdbqt --center_x 5.933 --center_y -6.828 --center_z 32.236 --size_x 13 --size_y 12 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/TN6765_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1340490312 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.6 0.000 0.000 Writing output ... done. ***Start*** Calculate T2790 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T2790.pdbqt --center_x 5.933 --center_y -6.828 --center_z 32.236 --size_x 13 --size_y 12 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/T2790_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1328608424 Performing search ... 0% 10 20 30 40 50 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 T2865 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T2865.pdbqt --center_x 5.933 --center_y -6.828 --center_z 32.236 --size_x 13 --size_y 12 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/T2865_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1116506017 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.4 0.000 0.000 Writing output ... done. ***Start*** Calculate T8200 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T8200.pdbqt --center_x 5.933 --center_y -6.828 --center_z 32.236 --size_x 13 --size_y 12 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/T8200_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1538917570 Performing search ... 0% 10 20 30 40 50 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 TN2027 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/TN2027.pdbqt --center_x 5.933 --center_y -6.828 --center_z 32.236 --size_x 13 --size_y 12 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/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: 98524513 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.2 0.000 0.000 Writing output ... done. ***Start*** Calculate T0856L ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T0856L.pdbqt --center_x 5.933 --center_y -6.828 --center_z 32.236 --size_x 13 --size_y 12 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/T0856L_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1724397609 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.4 0.000 0.000 Writing output ... done. ***Start*** Calculate T6407 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T6407.pdbqt --center_x 5.933 --center_y -6.828 --center_z 32.236 --size_x 13 --size_y 12 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/T6407_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1752373296 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.2 0.000 0.000 Writing output ... done. ***Start*** Calculate T6S1784 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T6S1784.pdbqt --center_x 5.933 --center_y -6.828 --center_z 32.236 --size_x 13 --size_y 12 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/T6S1784_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 180429467 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.2 0.000 0.000 Writing output ... done. ***Start*** Calculate T4550 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T4550.pdbqt --center_x 5.933 --center_y -6.828 --center_z 32.236 --size_x 13 --size_y 12 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/T4550_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -897430182 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.4 0.000 0.000 Writing output ... done. ***Start*** Calculate T5S1058 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T5S1058.pdbqt --center_x 5.933 --center_y -6.828 --center_z 32.236 --size_x 13 --size_y 12 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/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: 1000876286 Performing search ... 0% 10 20 30 40 50 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 T3056 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T3056.pdbqt --center_x 5.933 --center_y -6.828 --center_z 32.236 --size_x 13 --size_y 12 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/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: 1821179648 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.3 0.000 0.000 Writing output ... done. ***Start*** Calculate T3S1957 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T3S1957.pdbqt --center_x 5.933 --center_y -6.828 --center_z 32.236 --size_x 13 --size_y 12 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/T3S1957_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -832127106 Performing search ... 0% 10 20 30 40 50 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 T5S1262 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T5S1262.pdbqt --center_x 5.933 --center_y -6.828 --center_z 32.236 --size_x 13 --size_y 12 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/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: 800065436 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.3 0.000 0.000 Writing output ... done. ***Start*** Calculate T0478 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T0478.pdbqt --center_x 5.933 --center_y -6.828 --center_z 32.236 --size_x 13 --size_y 12 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/T0478_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1859551104 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.0 0.000 0.000 Writing output ... done. ***Start*** Calculate T3324 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T3324.pdbqt --center_x 5.933 --center_y -6.828 --center_z 32.236 --size_x 13 --size_y 12 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/T3324_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1040296619 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.0 0.000 0.000 Writing output ... done. ***Start*** Calculate TN2435 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/TN2435.pdbqt --center_x 5.933 --center_y -6.828 --center_z 32.236 --size_x 13 --size_y 12 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/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: 587689939 Performing search ... 0% 10 20 30 40 50 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 TN4614 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/TN4614.pdbqt --center_x 5.933 --center_y -6.828 --center_z 32.236 --size_x 13 --size_y 12 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/TN4614_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -2081394817 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.0 0.000 0.000 Writing output ... done. ***Start*** Calculate T2149 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T2149.pdbqt --center_x 5.933 --center_y -6.828 --center_z 32.236 --size_x 13 --size_y 12 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/T2149_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1267400836 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.0 0.000 0.000 Writing output ... done. ***Start*** Calculate TQ0185 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/TQ0185.pdbqt --center_x 5.933 --center_y -6.828 --center_z 32.236 --size_x 13 --size_y 12 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/TQ0185_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1286634066 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.2 0.000 0.000 Writing output ... done. ***Start*** Calculate TNP-005276 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/TNP-005276.pdbqt --center_x 5.933 --center_y -6.828 --center_z 32.236 --size_x 13 --size_y 12 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/TNP-005276_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1368765189 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.0 0.000 0.000 Writing output ... done. ***Start*** Calculate T2S0820 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T2S0820.pdbqt --center_x 5.933 --center_y -6.828 --center_z 32.236 --size_x 13 --size_y 12 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/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: -551611944 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.0 0.000 0.000 Writing output ... done. ***Start*** Calculate TN1023 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/TN1023.pdbqt --center_x 5.933 --center_y -6.828 --center_z 32.236 --size_x 13 --size_y 12 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/TN1023_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1079537664 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.0 0.000 0.000 Writing output ... done. ***Start*** Calculate T3867 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T3867.pdbqt --center_x 5.933 --center_y -6.828 --center_z 32.236 --size_x 13 --size_y 12 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/T3867_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1897744661 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.0 0.000 0.000 Writing output ... done. ***Start*** Calculate T4S2063 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T4S2063.pdbqt --center_x 5.933 --center_y -6.828 --center_z 32.236 --size_x 13 --size_y 12 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/T4S2063_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -768176616 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.2 0.000 0.000 Writing output ... done. ***Start*** Calculate T5S2343 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T5S2343.pdbqt --center_x 5.933 --center_y -6.828 --center_z 32.236 --size_x 13 --size_y 12 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/T5S2343_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 858764761 Performing search ... 0% 10 20 30 40 50 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 T5S2347 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T5S2347.pdbqt --center_x 5.933 --center_y -6.828 --center_z 32.236 --size_x 13 --size_y 12 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/T5S2347_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -171788363 Performing search ... 0% 10 20 30 40 50 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 T3246 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T3246.pdbqt --center_x 5.933 --center_y -6.828 --center_z 32.236 --size_x 13 --size_y 12 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/T3246_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1461473636 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.0 0.000 0.000 Writing output ... done. ***Start*** Calculate T3090 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T3090.pdbqt --center_x 5.933 --center_y -6.828 --center_z 32.236 --size_x 13 --size_y 12 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/T3090_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -390442854 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.0 0.000 0.000 Writing output ... done. ***Start*** Calculate T1166 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T1166.pdbqt --center_x 5.933 --center_y -6.828 --center_z 32.236 --size_x 13 --size_y 12 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/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: 431981473 Performing search ... 0% 10 20 30 40 50 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 T8859 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T8859.pdbqt --center_x 5.933 --center_y -6.828 --center_z 32.236 --size_x 13 --size_y 12 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/T8859_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 2057875713 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.0 0.000 0.000 Writing output ... done. ***Start*** Calculate T6S1423 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T6S1423.pdbqt --center_x 5.933 --center_y -6.828 --center_z 32.236 --size_x 13 --size_y 12 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/T6S1423_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -605930770 Performing search ... 0% 10 20 30 40 50 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 TJS0368 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/TJS0368.pdbqt --center_x 5.933 --center_y -6.828 --center_z 32.236 --size_x 13 --size_y 12 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/TJS0368_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 236506988 Performing search ... 0% 10 20 30 40 50 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 T3926 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T3926.pdbqt --center_x 5.933 --center_y -6.828 --center_z 32.236 --size_x 13 --size_y 12 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/T3926_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1055775162 Performing search ... 0% 10 20 30 40 50 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 TN1272 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/TN1272.pdbqt --center_x 5.933 --center_y -6.828 --center_z 32.236 --size_x 13 --size_y 12 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/TN1272_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1879256886 Performing search ... 0% 10 20 30 40 50 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 T6S1292 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T6S1292.pdbqt --center_x 5.933 --center_y -6.828 --center_z 32.236 --size_x 13 --size_y 12 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/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: -782438016 Performing search ... 0% 10 20 30 40 50 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 TN6740 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/TN6740.pdbqt --center_x 5.933 --center_y -6.828 --center_z 32.236 --size_x 13 --size_y 12 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/TN6740_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -694334383 Performing search ... 0% 10 20 30 40 50 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 T3343 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T3343.pdbqt --center_x 5.933 --center_y -6.828 --center_z 32.236 --size_x 13 --size_y 12 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/T3343_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 123882944 Performing search ... 0% 10 20 30 40 50 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 T10993 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T10993.pdbqt --center_x 5.933 --center_y -6.828 --center_z 32.236 --size_x 13 --size_y 12 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/T10993_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -932964346 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -4.1 0.000 0.000 Writing output ... done. ***Start*** Calculate TN1650 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/TN1650.pdbqt --center_x 5.933 --center_y -6.828 --center_z 32.236 --size_x 13 --size_y 12 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/TN1650_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 77978323 Performing search ... 0% 10 20 30 40 50 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 T3429 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T3429.pdbqt --center_x 5.933 --center_y -6.828 --center_z 32.236 --size_x 13 --size_y 12 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/T3429_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1705933269 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.3 0.000 0.000 Writing output ... done. ***Start*** Calculate T1009 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T1009.pdbqt --center_x 5.933 --center_y -6.828 --center_z 32.236 --size_x 13 --size_y 12 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/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: -962129042 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.6 0.000 0.000 Writing output ... done. ***Start*** Calculate T5S0662 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T5S0662.pdbqt --center_x 5.933 --center_y -6.828 --center_z 32.236 --size_x 13 --size_y 12 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/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: -144998284 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.5 0.000 0.000 Writing output ... done. ***Start*** Calculate T2751 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T2751.pdbqt --center_x 5.933 --center_y -6.828 --center_z 32.236 --size_x 13 --size_y 12 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/T2751_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1482958930 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.5 0.000 0.000 Writing output ... done. ***Start*** Calculate T2814 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T2814.pdbqt --center_x 5.933 --center_y -6.828 --center_z 32.236 --size_x 13 --size_y 12 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/T2814_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1173540688 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.5 0.000 0.000 Writing output ... done. ***Start*** Calculate TN1305 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/TN1305.pdbqt --center_x 5.933 --center_y -6.828 --center_z 32.236 --size_x 13 --size_y 12 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/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: 452316766 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.4 0.000 0.000 Writing output ... done. ***Start*** Calculate T3929 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T3929.pdbqt --center_x 5.933 --center_y -6.828 --center_z 32.236 --size_x 13 --size_y 12 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/T3929_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1273654064 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.5 0.000 0.000 Writing output ... done. ***Start*** Calculate T4S0790 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T4S0790.pdbqt --center_x 5.933 --center_y -6.828 --center_z 32.236 --size_x 13 --size_y 12 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/T4S0790_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 2051018466 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.4 0.000 0.000 Writing output ... done. ***Start*** Calculate T5625 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T5625.pdbqt --center_x 5.933 --center_y -6.828 --center_z 32.236 --size_x 13 --size_y 12 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/T5625_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1423661056 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.4 0.000 0.000 Writing output ... done. ***Start*** Calculate T2S2335 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T2S2335.pdbqt --center_x 5.933 --center_y -6.828 --center_z 32.236 --size_x 13 --size_y 12 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/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: -1263306266 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.3 0.000 0.000 Writing output ... done. ***Start*** Calculate TN1026 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/TN1026.pdbqt --center_x 5.933 --center_y -6.828 --center_z 32.236 --size_x 13 --size_y 12 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/TN1026_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1651873325 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.4 0.000 0.000 Writing output ... done. ***Start*** Calculate TN2601 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/TN2601.pdbqt --center_x 5.933 --center_y -6.828 --center_z 32.236 --size_x 13 --size_y 12 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/TN2601_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -831583202 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.3 0.000 0.000 Writing output ... done. ***Start*** Calculate T4957 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T4957.pdbqt --center_x 5.933 --center_y -6.828 --center_z 32.236 --size_x 13 --size_y 12 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/T4957_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 805844608 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.3 0.000 0.000 Writing output ... done. ***Start*** Calculate T3374 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T3374.pdbqt --center_x 5.933 --center_y -6.828 --center_z 32.236 --size_x 13 --size_y 12 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/T3374_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1854847260 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.5 0.000 0.000 Writing output ... done. ***Start*** Calculate T5727 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T5727.pdbqt --center_x 5.933 --center_y -6.828 --center_z 32.236 --size_x 13 --size_y 12 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/T5727_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 739981438 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.6 0.000 0.000 Writing output ... done. ***Start*** Calculate T5S0053 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T5S0053.pdbqt --center_x 5.933 --center_y -6.828 --center_z 32.236 --size_x 13 --size_y 12 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/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: -1923862720 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.6 0.000 0.000 Writing output ... done. ***Start*** Calculate T5750 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T5750.pdbqt --center_x 5.933 --center_y -6.828 --center_z 32.236 --size_x 13 --size_y 12 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/T5750_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1107774948 Performing search ... 0% 10 20 30 40 50 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 T6169 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T6169.pdbqt --center_x 5.933 --center_y -6.828 --center_z 32.236 --size_x 13 --size_y 12 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/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: -285377600 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.2 0.000 0.000 Writing output ... done. ***Start*** Calculate T2868 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T2868.pdbqt --center_x 5.933 --center_y -6.828 --center_z 32.236 --size_x 13 --size_y 12 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/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: 529659413 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.3 0.000 0.000 Writing output ... done. ***Start*** Calculate T3S0804 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T3S0804.pdbqt --center_x 5.933 --center_y -6.828 --center_z 32.236 --size_x 13 --size_y 12 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/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: -2139439539 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.7 0.000 0.000 Writing output ... done. ***Start*** Calculate T2S1792 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T2S1792.pdbqt --center_x 5.933 --center_y -6.828 --center_z 32.236 --size_x 13 --size_y 12 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/T2S1792_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -513570547 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.2 0.000 0.000 Writing output ... done. ***Start*** Calculate T2972 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T2972.pdbqt --center_x 5.933 --center_y -6.828 --center_z 32.236 --size_x 13 --size_y 12 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/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: 302519304 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.3 0.000 0.000 Writing output ... done. ***Start*** Calculate T0760 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T0760.pdbqt --center_x 5.933 --center_y -6.828 --center_z 32.236 --size_x 13 --size_y 12 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/T0760_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1928389430 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.2 0.000 0.000 Writing output ... done. ***Start*** Calculate TQ0209 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/TQ0209.pdbqt --center_x 5.933 --center_y -6.828 --center_z 32.236 --size_x 13 --size_y 12 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/TQ0209_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -722826288 Performing search ... 0% 10 20 30 40 50 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 T3S1541 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T3S1541.pdbqt --center_x 5.933 --center_y -6.828 --center_z 32.236 --size_x 13 --size_y 12 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/T3S1541_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 911460980 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.0 0.000 0.000 Writing output ... done. ***Start*** Calculate TN1144 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/TN1144.pdbqt --center_x 5.933 --center_y -6.828 --center_z 32.236 --size_x 13 --size_y 12 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/TN1144_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1884770064 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.0 0.000 0.000 Writing output ... done. ***Start*** Calculate T2906 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T2906.pdbqt --center_x 5.933 --center_y -6.828 --center_z 32.236 --size_x 13 --size_y 12 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/T2906_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -162049690 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.2 0.000 0.000 Writing output ... done. ***Start*** Calculate T2907 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T2907.pdbqt --center_x 5.933 --center_y -6.828 --center_z 32.236 --size_x 13 --size_y 12 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/T2907_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -626051999 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.6 0.000 0.000 Writing output ... done. ***Start*** Calculate T25476 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T25476.pdbqt --center_x 5.933 --center_y -6.828 --center_z 32.236 --size_x 13 --size_y 12 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/T25476_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 188990184 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -1.8 0.000 0.000 Writing output ... done. ***Start*** Calculate T0012 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T0012.pdbqt --center_x 5.933 --center_y -6.828 --center_z 32.236 --size_x 13 --size_y 12 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/T0012_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1651379404 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.0 0.000 0.000 Writing output ... done. ***Start*** Calculate T0948L ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T0948L.pdbqt --center_x 5.933 --center_y -6.828 --center_z 32.236 --size_x 13 --size_y 12 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/T0948L_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -18135447 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.5 0.000 0.000 Writing output ... done. ***Start*** Calculate T3828 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T3828.pdbqt --center_x 5.933 --center_y -6.828 --center_z 32.236 --size_x 13 --size_y 12 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/T3828_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1617214472 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.0 0.000 0.000 Writing output ... done. ***Start*** Calculate T3403 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T3403.pdbqt --center_x 5.933 --center_y -6.828 --center_z 32.236 --size_x 13 --size_y 12 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/T3403_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -230512888 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.0 0.000 0.000 Writing output ... done. ***Start*** Calculate T3S2019 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T3S2019.pdbqt --center_x 5.933 --center_y -6.828 --center_z 32.236 --size_x 13 --size_y 12 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/T3S2019_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1401683542 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.8 0.000 0.000 Writing output ... done. ***Start*** Calculate TN1369 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/TN1369.pdbqt --center_x 5.933 --center_y -6.828 --center_z 32.236 --size_x 13 --size_y 12 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/TN1369_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 475797150 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.0 0.000 0.000 Writing output ... done. ***Start*** Calculate T5240 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T5240.pdbqt --center_x 5.933 --center_y -6.828 --center_z 32.236 --size_x 13 --size_y 12 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/T5240_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 2105891548 Performing search ... 0% 10 20 30 40 50 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 T8288 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T8288.pdbqt --center_x 5.933 --center_y -6.828 --center_z 32.236 --size_x 13 --size_y 12 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/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: 262383744 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.3 0.000 0.000 Writing output ... done. ***Start*** Calculate T2992 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T2992.pdbqt --center_x 5.933 --center_y -6.828 --center_z 32.236 --size_x 13 --size_y 12 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/T2992_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1582173384 Performing search ... 0% 10 20 30 40 50 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 T7786 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T7786.pdbqt --center_x 5.933 --center_y -6.828 --center_z 32.236 --size_x 13 --size_y 12 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/T7786_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 46873148 Performing search ... 0% 10 20 30 40 50 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 T1571 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T1571.pdbqt --center_x 5.933 --center_y -6.828 --center_z 32.236 --size_x 13 --size_y 12 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/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: 1670656482 Performing search ... 0% 10 20 30 40 50 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 T4S0797 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T4S0797.pdbqt --center_x 5.933 --center_y -6.828 --center_z 32.236 --size_x 13 --size_y 12 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/T4S0797_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1803996097 Performing search ... 0% 10 20 30 40 50 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 T6S1572 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T6S1572.pdbqt --center_x 5.933 --center_y -6.828 --center_z 32.236 --size_x 13 --size_y 12 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/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: -984733728 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.0 0.000 0.000 Writing output ... done. ***Start*** Calculate T2838 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T2838.pdbqt --center_x 5.933 --center_y -6.828 --center_z 32.236 --size_x 13 --size_y 12 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/T2838_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 643263048 Performing search ... 0% 10 20 30 40 50 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 T6062 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T6062.pdbqt --center_x 5.933 --center_y -6.828 --center_z 32.236 --size_x 13 --size_y 12 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/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: -2020547620 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.3 0.000 0.000 Writing output ... done. ***Start*** Calculate T0809 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T0809.pdbqt --center_x 5.933 --center_y -6.828 --center_z 32.236 --size_x 13 --size_y 12 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/T0809_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1202336303 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.0 0.000 0.000 Writing output ... done. ***Start*** Calculate TCS1772 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/TCS1772.pdbqt --center_x 5.933 --center_y -6.828 --center_z 32.236 --size_x 13 --size_y 12 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/TCS1772_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1243875408 Performing search ... 0% 10 20 30 40 50 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 TQ0070 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/TQ0070.pdbqt --center_x 5.933 --center_y -6.828 --center_z 32.236 --size_x 13 --size_y 12 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/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: -1420984746 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -4.1 0.000 0.000 Writing output ... done. ***Start*** Calculate T2816 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T2816.pdbqt --center_x 5.933 --center_y -6.828 --center_z 32.236 --size_x 13 --size_y 12 --size_z 13 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/T2816_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1599601035 Performing search ... 0% 10 20 30 40 50 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.