[running at reduced cpu priority] JobID: bambam-0-62b48691 BatchMin V13.6 Build 136128 Starting Time 23-Jun-2022 08:28:18 MacroModel. Copyright Schrodinger, LLC. All rights reserved. Input filename: a-lactose-d1.mae Output filename: a-lactose-d1-out.maegz Atom-type file: /home/mgcf/software-ws/schrodinger/2022-2/mmshare-v5.8/bin/Linux-x86_64/../../data/atom.typ No FFLD_OPLS_PRINT license found. Forcefield parameters will not be revealed. Force field: /home/mgcf/software-ws/schrodinger/2022-2/macromodel-v13.6/bin/Linux-x86_64/../../data/f16.fld Read 45 atoms. Structure name, if any, appears on next line: a-lactose minimized Quality of Force Field Parameters in Use: Numbers of high, medium and low quality stretch parameters = 46 0 0 Numbers of high, medium and low quality bend parameters = 83 0 0 Numbers of high, medium and low quality torsion parameters = 132 0 0 Interactions examined: 261 of 261 total, including unused params. Stretch total= 46 constrained= 0 Bend total= 83 constrained= 0 linear= 0 Torsion total= 133 constrained= 1 out-of-plane= 0 Nonbonded total= 861 H-bonded= 0 ordinary= 861 Nonbonded cutoffs: CutVdw= 8.00 ; CutEs= 20.0 Solvent file: /home/mgcf/software-ws/schrodinger/2022-2/macromodel-v13.6/bin/Linux-x86_64/../../data/water.slv Block specifies desired NFIELD -- accepting block Starting conjugate gradient minimization. Iterations = 300 out of 2500 Conf 1 E = 198.473 ( 0.048) kJ/mol Drive_Value 1: 0.00 E= : 198.47 kJ/mol Starting conjugate gradient minimization. Iterations = 140 out of 2500 Conf 1 E = 196.592 ( 0.036) kJ/mol Drive_Value 1: 10.00 E= : 196.59 kJ/mol Starting conjugate gradient minimization. Iterations = 200 out of 2500 Conf 1 E = 193.969 ( 0.046) kJ/mol Drive_Value 1: 20.00 E= : 193.97 kJ/mol Starting conjugate gradient minimization. Iterations = 180 out of 2500 Conf 1 E = 192.329 ( 0.042) kJ/mol Drive_Value 1: 30.00 E= : 192.33 kJ/mol Starting conjugate gradient minimization. Iterations = 280 out of 2500 Conf 1 E = 192.912 ( 0.032) kJ/mol Drive_Value 1: 40.00 E= : 192.91 kJ/mol Starting conjugate gradient minimization. Iterations = 310 out of 2500 Conf 1 E = 196.098 ( 0.032) kJ/mol Drive_Value 1: 50.00 E= : 196.10 kJ/mol Starting conjugate gradient minimization. Iterations = 330 out of 2500 Conf 1 E = 201.817 ( 0.045) kJ/mol Drive_Value 1: 60.00 E= : 201.82 kJ/mol Starting conjugate gradient minimization. Iterations = 410 out of 2500 Conf 1 E = 209.670 ( 0.038) kJ/mol Drive_Value 1: 70.00 E= : 209.67 kJ/mol Starting conjugate gradient minimization. Iterations = 320 out of 2500 Conf 1 E = 218.911 ( 0.048) kJ/mol Drive_Value 1: 80.00 E= : 218.91 kJ/mol Starting conjugate gradient minimization. Iterations = 320 out of 2500 Conf 1 E = 228.237 ( 0.046) kJ/mol Drive_Value 1: 90.00 E= : 228.24 kJ/mol Starting conjugate gradient minimization. Iterations = 410 out of 2500 Conf 1 E = 212.579 ( 0.041) kJ/mol Drive_Value 1: 100.00 E= : 212.58 kJ/mol Starting conjugate gradient minimization. Iterations = 140 out of 2500 Conf 1 E = 219.765 ( 0.045) kJ/mol Drive_Value 1: 110.00 E= : 219.76 kJ/mol Starting conjugate gradient minimization. Iterations = 210 out of 2500 Conf 1 E = 225.371 ( 0.041) kJ/mol Drive_Value 1: 120.00 E= : 225.37 kJ/mol Starting conjugate gradient minimization. Iterations = 110 out of 2500 Conf 1 E = 227.814 ( 0.049) kJ/mol Drive_Value 1: 130.00 E= : 227.81 kJ/mol Starting conjugate gradient minimization. Iterations = 180 out of 2500 Conf 1 E = 228.534 ( 0.046) kJ/mol Drive_Value 1: 140.00 E= : 228.53 kJ/mol Starting conjugate gradient minimization. Iterations = 220 out of 2500 Conf 1 E = 230.333 ( 0.041) kJ/mol Drive_Value 1: 150.00 E= : 230.33 kJ/mol Starting conjugate gradient minimization. Iterations = 510 out of 2500 Conf 1 E = 228.641 ( 0.043) kJ/mol Drive_Value 1: 160.00 E= : 228.64 kJ/mol Starting conjugate gradient minimization. Iterations = 140 out of 2500 Conf 1 E = 224.544 ( 0.040) kJ/mol Drive_Value 1: 170.00 E= : 224.54 kJ/mol Starting conjugate gradient minimization. Iterations = 160 out of 2500 Conf 1 E = 223.101 ( 0.046) kJ/mol Drive_Value 1: 180.00 E= : 223.10 kJ/mol Starting conjugate gradient minimization. Iterations = 170 out of 2500 Conf 1 E = 225.101 ( 0.047) kJ/mol Drive_Value 1: 190.00 E= : 225.10 kJ/mol Starting conjugate gradient minimization. Iterations = 140 out of 2500 Conf 1 E = 230.416 ( 0.028) kJ/mol Drive_Value 1: 200.00 E= : 230.42 kJ/mol Starting conjugate gradient minimization. Iterations = 180 out of 2500 Conf 1 E = 238.381 ( 0.038) kJ/mol Drive_Value 1: 210.00 E= : 238.38 kJ/mol Starting conjugate gradient minimization. Iterations = 220 out of 2500 Conf 1 E = 247.763 ( 0.040) kJ/mol Drive_Value 1: 220.00 E= : 247.76 kJ/mol Starting conjugate gradient minimization. Iterations = 340 out of 2500 Conf 1 E = 251.631 ( 0.043) kJ/mol Drive_Value 1: 230.00 E= : 251.63 kJ/mol Starting conjugate gradient minimization. Iterations = 140 out of 2500 Conf 1 E = 251.713 ( 0.044) kJ/mol Drive_Value 1: 240.00 E= : 251.71 kJ/mol Starting conjugate gradient minimization. Iterations = 140 out of 2500 Conf 1 E = 250.429 ( 0.045) kJ/mol Drive_Value 1: 250.00 E= : 250.43 kJ/mol Starting conjugate gradient minimization. Iterations = 150 out of 2500 Conf 1 E = 248.059 ( 0.045) kJ/mol Drive_Value 1: 260.00 E= : 248.06 kJ/mol Starting conjugate gradient minimization. Iterations = 150 out of 2500 Conf 1 E = 245.075 ( 0.048) kJ/mol Drive_Value 1: 270.00 E= : 245.08 kJ/mol Starting conjugate gradient minimization. Iterations = 160 out of 2500 Conf 1 E = 241.776 ( 0.045) kJ/mol Drive_Value 1: 280.00 E= : 241.78 kJ/mol Starting conjugate gradient minimization. Iterations = 180 out of 2500 Conf 1 E = 238.612 ( 0.047) kJ/mol Drive_Value 1: 290.00 E= : 238.61 kJ/mol Starting conjugate gradient minimization. Iterations = 190 out of 2500 Conf 1 E = 235.902 ( 0.031) kJ/mol Drive_Value 1: 300.00 E= : 235.90 kJ/mol Starting conjugate gradient minimization. Iterations = 190 out of 2500 Conf 1 E = 234.038 ( 0.034) kJ/mol Drive_Value 1: 310.00 E= : 234.04 kJ/mol Starting conjugate gradient minimization. Iterations = 180 out of 2500 Conf 1 E = 233.022 ( 0.044) kJ/mol Drive_Value 1: 320.00 E= : 233.02 kJ/mol Starting conjugate gradient minimization. Iterations = 390 out of 2500 Conf 1 E = 230.048 ( 0.032) kJ/mol Drive_Value 1: 330.00 E= : 230.05 kJ/mol Starting conjugate gradient minimization. Iterations = 410 out of 2500 Conf 1 E = 224.518 ( 0.030) kJ/mol Drive_Value 1: 340.00 E= : 224.52 kJ/mol Starting conjugate gradient minimization. Iterations = 240 out of 2500 Conf 1 E = 218.054 ( 0.049) kJ/mol Drive_Value 1: 350.00 E= : 218.05 kJ/mol Starting conjugate gradient minimization. Iterations = 160 out of 2500 Conf 1 E = 211.920 ( 0.043) kJ/mol Drive_Value 1: 360.00 E= : 211.92 kJ/mol The minimum energy over the driven geometries is 192.329 kJ/mol Total number of structures processed = 37 BatchMin: normal termination 23-Jun-2022 08:28:27 real 0m10.448s user 0m8.932s sys 0m0.890s