***Start*** ***Start*** Calculate T4S2128 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T4S2128.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/T4S2128_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1991638006 Performing search ... 0% 10 20 30 40 50 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 T5S1028 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T5S1028.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/T5S1028_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1655041552 Performing search ... 0% 10 20 30 40 50 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 T2972 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T2972.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/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: -1300709080 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.7 0.000 0.000 Writing output ... done. ***Start*** Calculate T8277 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T8277.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/T8277_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 397212789 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.7 0.000 0.000 Writing output ... done. ***Start*** Calculate T1633 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T1633.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/T1633_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 424474900 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.6 0.000 0.000 Writing output ... done. ***Start*** Calculate T3054 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T3054.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/T3054_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 567065150 Performing search ... 0% 10 20 30 40 50 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 T4S2164 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T4S2164.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/T4S2164_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1250480387 Performing search ... 0% 10 20 30 40 50 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 T5S0662 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T5S0662.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 9 --size_y 9 --size_z 14 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/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: 1422686334 Performing search ... 0% 10 20 30 40 50 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 T2791 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T2791.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/T2791_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -2055731112 Performing search ... 0% 10 20 30 40 50 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 T1035 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T1035.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/T1035_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1522368584 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.6 0.000 0.000 Writing output ... done. ***Start*** Calculate T3S1612 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T3S1612.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/T3S1612_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -126747630 Performing search ... 0% 10 20 30 40 50 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 T3S0128 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T3S0128.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/T3S0128_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 269627816 Performing search ... 0% 10 20 30 40 50 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 T3892 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T3892.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/T3892_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1088002867 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.3 0.000 0.000 Writing output ... done. ***Start*** Calculate T6S0923 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T6S0923.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/T6S0923_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1031959040 Performing search ... 0% 10 20 30 40 50 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 T2919 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T2919.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/T2919_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -3954160 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.2 0.000 0.000 Writing output ... done. ***Start*** Calculate T3S1955 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T3S1955.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/T3S1955_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1627384820 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.0 0.000 0.000 Writing output ... done. ***Start*** Calculate TN5031 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/TN5031.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/TN5031_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1037147032 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.2 0.000 0.000 Writing output ... done. ***Start*** Calculate T2799 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T2799.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/T2799_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -203374746 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -4.8 0.000 0.000 Writing output ... done. ***Start*** Calculate T3787 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T3787.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/T3787_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 634924508 Performing search ... 0% 10 20 30 40 50 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 TN1650 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/TN1650.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/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: 1555490732 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.1 0.000 0.000 Writing output ... done. ***Start*** Calculate TQ0161 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/TQ0161.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/TQ0161_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1112648964 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.1 0.000 0.000 Writing output ... done. ***Start*** Calculate T3212 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T3212.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/T3212_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -350638785 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.1 0.000 0.000 Writing output ... done. ***Start*** Calculate TN1691 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/TN1691.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/TN1691_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1282531833 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.2 0.000 0.000 Writing output ... done. ***Start*** Calculate T1719 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T1719.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/T1719_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 2119039978 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -4.4 0.000 0.000 Writing output ... done. ***Start*** Calculate TN1027 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/TN1027.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/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: -1353001268 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.1 0.000 0.000 Writing output ... done. ***Start*** Calculate TN1142 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/TN1142.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/TN1142_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -533696840 Performing search ... 0% 10 20 30 40 50 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 T6491 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T6491.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/T6491_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 281080007 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.0 0.000 0.000 Writing output ... done. ***Start*** Calculate T2906 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T2906.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/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: 1097668502 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.0 0.000 0.000 Writing output ... done. ***Start*** Calculate T9218 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T9218.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/T9218_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1573177668 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.0 0.000 0.000 Writing output ... done. ***Start*** Calculate T7035 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T7035.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/T7035_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -675411100 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.0 0.000 0.000 Writing output ... done. ***Start*** Calculate TJS2216 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/TJS2216.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/TJS2216_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 138461904 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.2 0.000 0.000 Writing output ... done. ***Start*** Calculate T1286 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T1286.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/T1286_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1522092698 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.0 0.000 0.000 Writing output ... done. ***Start*** Calculate T4037 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T4037.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/T4037_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -703688664 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.0 0.000 0.000 Writing output ... done. ***Start*** Calculate TN1103 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/TN1103.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/TN1103_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 117433553 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.0 0.000 0.000 Writing output ... done. ***Start*** Calculate T2781 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T2781.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/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: 940368288 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.0 0.000 0.000 Writing output ... done. ***Start*** Calculate T3780 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T3780.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/T3780_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1755150418 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.1 0.000 0.000 Writing output ... done. ***Start*** Calculate T6S1292 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T6S1292.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/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: -722982609 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.1 0.000 0.000 Writing output ... done. ***Start*** Calculate T1424 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T1424.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/T1424_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 97238524 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.0 0.000 0.000 Writing output ... done. ***Start*** Calculate T5S1607 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T5S1607.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/T5S1607_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 913836181 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.1 0.000 0.000 Writing output ... done. ***Start*** Calculate T5S1952 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T5S1952.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/T5S1952_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1743119082 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -4.9 0.000 0.000 Writing output ... done. ***Start*** Calculate T1238 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T1238.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/T1238_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1732531060 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.0 0.000 0.000 Writing output ... done. ***Start*** Calculate T2230 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T2230.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/T2230_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -916837760 Performing search ... 0% 10 20 30 40 50 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 T8724 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T8724.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/T8724_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1719409668 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -4.9 0.000 0.000 Writing output ... done. ***Start*** Calculate T3795 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T3795.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/T3795_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1759862350 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -4.9 0.000 0.000 Writing output ... done. ***Start*** Calculate T4S1983 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T4S1983.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/T4S1983_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -749161172 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -4.9 0.000 0.000 Writing output ... done. ***Start*** Calculate T3S2312 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T3S2312.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/T3S2312_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 71068067 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.0 0.000 0.000 Writing output ... done. ***Start*** Calculate TN1860 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/TN1860.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/TN1860_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1887038349 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.1 0.000 0.000 Writing output ... done. ***Start*** Calculate T6062 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T6062.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/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: -1576820004 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -4.9 0.000 0.000 Writing output ... done. ***Start*** Calculate TN2354 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/TN2354.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/TN2354_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -762930890 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -4.9 0.000 0.000 Writing output ... done. ***Start*** Calculate T5736 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T5736.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/T5736_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 53677700 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -4.2 0.000 0.000 Writing output ... done. ***Start*** Calculate T2S2335 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T2S2335.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/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: -214610246 Performing search ... 0% 10 20 30 40 50 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 T4S2126 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T4S2126.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/T4S2126_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 791526324 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.7 0.000 0.000 Writing output ... done. ***Start*** Calculate TN1933 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/TN1933.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/TN1933_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 274361366 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.7 0.000 0.000 Writing output ... done. ***Start*** Calculate T6S0221 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T6S0221.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/T6S0221_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1420683342 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.1 0.000 0.000 Writing output ... done. ***Start*** Calculate T6S0139 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T6S0139.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/T6S0139_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -2118235173 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.7 0.000 0.000 Writing output ... done. ***Start*** Calculate T2847 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T2847.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/T2847_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1293563904 Performing search ... 0% 10 20 30 40 50 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 T2S0265 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T2S0265.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/T2S0265_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -478833902 Performing search ... 0% 10 20 30 40 50 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 T3846 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T3846.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/T3846_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1400782950 Performing search ... 0% 10 20 30 40 50 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 TN6723 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/TN6723.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/TN6723_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -2068600593 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.2 0.000 0.000 Writing output ... done. ***Start*** Calculate T0228 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T0228.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/T0228_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1224032456 Performing search ... 0% 10 20 30 40 50 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 T0690 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T0690.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/T0690_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1246413590 Performing search ... 0% 10 20 30 40 50 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 T8852 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T8852.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/T8852_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 623539528 Performing search ... 0% 10 20 30 40 50 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 T2912 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T2912.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/T2912_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -938783890 Performing search ... 0% 10 20 30 40 50 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 T8716 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T8716.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/T8716_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 699756760 Performing search ... 0% 10 20 30 40 50 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 T3246 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T3246.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/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: 1521740801 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.2 0.000 0.000 Writing output ... done. ***Start*** Calculate T6S1423 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T6S1423.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/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: -1953050302 Performing search ... 0% 10 20 30 40 50 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 T6169 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T6169.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/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: -1115691210 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.2 0.000 0.000 Writing output ... done. ***Start*** Calculate T2868 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T2868.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/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: -300939344 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.1 0.000 0.000 Writing output ... done. ***Start*** Calculate T3S0804 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T3S0804.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/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: 512908463 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.2 0.000 0.000 Writing output ... done. ***Start*** Calculate TN2082 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/TN2082.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/TN2082_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1328565360 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.1 0.000 0.000 Writing output ... done. ***Start*** Calculate T1048 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T1048.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/T1048_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 2146031509 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.1 0.000 0.000 Writing output ... done. ***Start*** Calculate TN2027 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/TN2027.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/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: -1332373616 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.1 0.000 0.000 Writing output ... done. ***Start*** Calculate T5S0055 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T5S0055.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/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: -516715504 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.1 0.000 0.000 Writing output ... done. ***Start*** Calculate T5S1598 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T5S1598.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/T5S1598_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 298942986 Performing search ... 0% 10 20 30 40 50 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 T4S0176 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T4S0176.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/T4S0176_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1139929114 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.0 0.000 0.000 Writing output ... done. ***Start*** Calculate T3899 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T3899.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/T3899_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -553269560 Performing search ... 0% 10 20 30 40 50 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 T6S0214 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T6S0214.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/T6S0214_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1943469272 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.0 0.000 0.000 Writing output ... done. ***Start*** Calculate T6S1369 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T6S1369.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/T6S1369_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1536739510 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.0 0.000 0.000 Writing output ... done. ***Start*** Calculate TN1012 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/TN1012.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/TN1012_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 2015403432 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.0 0.000 0.000 Writing output ... done. ***Start*** Calculate T8294 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T8294.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/T8294_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1454851427 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -4.3 0.000 0.000 Writing output ... done. ***Start*** Calculate T1009 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T1009.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/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: -594851730 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.0 0.000 0.000 Writing output ... done. ***Start*** Calculate T1571 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T1571.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/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: 219005936 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.0 0.000 0.000 Writing output ... done. ***Start*** Calculate T7992 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T7992.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/T7992_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1844912360 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.0 0.000 0.000 Writing output ... done. ***Start*** Calculate T6S1572 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T6S1572.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/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: -1635291628 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.0 0.000 0.000 Writing output ... done. ***Start*** Calculate T2S0820 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T2S0820.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/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: -819623083 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.0 0.000 0.000 Writing output ... done. ***Start*** Calculate T2963 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T2963.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/T2963_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 806285339 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.0 0.000 0.000 Writing output ... done. ***Start*** Calculate T6S1597 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T6S1597.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/T6S1597_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1846482293 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -4.9 0.000 0.000 Writing output ... done. ***Start*** Calculate T3931 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T3931.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/T3931_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1482276780 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.0 0.000 0.000 Writing output ... done. ***Start*** Calculate T1737 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T1737.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/T1737_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1988870032 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -4.9 0.000 0.000 Writing output ... done. ***Start*** Calculate TN1030 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/TN1030.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/TN1030_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1170479782 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -4.9 0.000 0.000 Writing output ... done. ***Start*** Calculate TN2435 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/TN2435.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/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: -152503885 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -4.9 0.000 0.000 Writing output ... done. ***Start*** Calculate T0851 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T0851.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/T0851_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 663172096 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -4.9 0.000 0.000 Writing output ... done. ***Start*** Calculate TN2683 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/TN2683.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/TN2683_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 744340504 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -4.9 0.000 0.000 Writing output ... done. ***Start*** Calculate T3399 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T3399.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/T3399_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1923799543 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -4.9 0.000 0.000 Writing output ... done. ***Start*** Calculate TN1305 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/TN1305.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/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: -293349758 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -4.9 0.000 0.000 Writing output ... done. ***Start*** Calculate T8245 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T8245.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/T8245_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 525950042 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -4.9 0.000 0.000 Writing output ... done. ***Start*** Calculate T3S1089 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T3S1089.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/T3S1089_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -1172656122 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.0 0.000 0.000 Writing output ... done. ***Start*** Calculate TN2241 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/TN2241.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 20 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/TN2241_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 467757308 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -4.4 0.000 0.000 Writing output ... done. ***Start*** Calculate T4S2012 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T4S2012.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/T4S2012_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1908823295 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -4.9 0.000 0.000 Writing output ... done. ***Start*** Calculate T5766 ../program/vina --receptor ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/receptor.pdbqt --ligand ../lib/pdbqt/TCMML_pdbqt/T5766.pdbqt --center_x -8.253 --center_y -3.085 --center_z 15.750 --size_x 14 --size_y 14 --size_z 15 --num_modes 1 --exhaustiveness 8 --out ../dock_file/lx631847851@gmail.com/bd-screen/20260526121820/screen/T5766_out.pdbqt ################################################################# # If you used AutoDock Vina in your work, please cite: # # # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # # Please see http://vina.scripps.edu for more information. # ################################################################# Detected 16 CPUs WARNING: at low exhaustiveness, it may be impossible to utilize all CPUs Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: -762022605 Performing search ... 0% 10 20 30 40 50 60 70 80 90 100% |----|----|----|----|----|----|----|----|----|----| *************************************************** done. Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -4.9 0.000 0.000 Writing output ... done.