n commands: 23 qr.refine /net/cci-gpu-00/raid1/scratch1/pavel/pairs/regularized_V3a/1yab.pdb debug_rss=true expansion=true mode=opt restraints=qm engine=aimnet2 clustering=false minimizer=lbfgs gradient_only=true use_reduce=False select_within_radius=7 number_of_micro_cycles=100 max_iterations_refine=100>& 1yab.log qr.refine /net/cci-gpu-00/raid1/scratch1/pavel/pairs/regularized_V3a/4xcr.pdb debug_rss=true expansion=true mode=opt restraints=qm engine=aimnet2 clustering=false minimizer=lbfgs gradient_only=true use_reduce=False select_within_radius=7 number_of_micro_cycles=100 max_iterations_refine=100>& 4xcr.log qr.refine /net/cci-gpu-00/raid1/scratch1/pavel/pairs/regularized_V3a/2ogu.pdb debug_rss=true expansion=true mode=opt restraints=qm engine=aimnet2 clustering=false minimizer=lbfgs gradient_only=true use_reduce=False select_within_radius=7 number_of_micro_cycles=100 max_iterations_refine=100>& 2ogu.log qr.refine /net/cci-gpu-00/raid1/scratch1/pavel/pairs/regularized_V3a/1u87.pdb debug_rss=true expansion=true mode=opt restraints=qm engine=aimnet2 clustering=false minimizer=lbfgs gradient_only=true use_reduce=False select_within_radius=7 number_of_micro_cycles=100 max_iterations_refine=100>& 1u87.log qr.refine /net/cci-gpu-00/raid1/scratch1/pavel/pairs/regularized_V3a/2fdq.pdb debug_rss=true expansion=true mode=opt restraints=qm engine=aimnet2 clustering=false minimizer=lbfgs gradient_only=true use_reduce=False select_within_radius=7 number_of_micro_cycles=100 max_iterations_refine=100>& 2fdq.log qr.refine /net/cci-gpu-00/raid1/scratch1/pavel/pairs/regularized_V3a/2h1g.pdb debug_rss=true expansion=true mode=opt restraints=qm engine=aimnet2 clustering=false minimizer=lbfgs gradient_only=true use_reduce=False select_within_radius=7 number_of_micro_cycles=100 max_iterations_refine=100>& 2h1g.log qr.refine /net/cci-gpu-00/raid1/scratch1/pavel/pairs/regularized_V3a/1xgo.pdb debug_rss=true expansion=true mode=opt restraints=qm engine=aimnet2 clustering=false minimizer=lbfgs gradient_only=true use_reduce=False select_within_radius=7 number_of_micro_cycles=100 max_iterations_refine=100>& 1xgo.log qr.refine /net/cci-gpu-00/raid1/scratch1/pavel/pairs/regularized_V3a/4iy2.pdb debug_rss=true expansion=true mode=opt restraints=qm engine=aimnet2 clustering=false minimizer=lbfgs gradient_only=true use_reduce=False select_within_radius=7 number_of_micro_cycles=100 max_iterations_refine=100>& 4iy2.log qr.refine /net/cci-gpu-00/raid1/scratch1/pavel/pairs/regularized_V3a/1x24.pdb debug_rss=true expansion=true mode=opt restraints=qm engine=aimnet2 clustering=false minimizer=lbfgs gradient_only=true use_reduce=False select_within_radius=7 number_of_micro_cycles=100 max_iterations_refine=100>& 1x24.log qr.refine /net/cci-gpu-00/raid1/scratch1/pavel/pairs/regularized_V3a/1fb5.pdb debug_rss=true expansion=true mode=opt restraints=qm engine=aimnet2 clustering=false minimizer=lbfgs gradient_only=true use_reduce=False select_within_radius=7 number_of_micro_cycles=100 max_iterations_refine=100>& 1fb5.log /bin/sh: line 1: 24706 Killed qr.refine /net/cci-gpu-00/raid1/scratch1/pavel/pairs/regularized_V3a/1fb5.pdb debug_rss=true expansion=true mode=opt restraints=qm engine=aimnet2 clustering=false minimizer=lbfgs gradient_only=true use_reduce=False select_within_radius=7 number_of_micro_cycles=100 max_iterations_refine=100 &>1fb5.log qr.refine /net/cci-gpu-00/raid1/scratch1/pavel/pairs/regularized_V3a/1u9o.pdb debug_rss=true expansion=true mode=opt restraints=qm engine=aimnet2 clustering=false minimizer=lbfgs gradient_only=true use_reduce=False select_within_radius=7 number_of_micro_cycles=100 max_iterations_refine=100>& 1u9o.log /bin/sh: line 1: 26199 Killed qr.refine /net/cci-gpu-00/raid1/scratch1/pavel/pairs/regularized_V3a/1u9o.pdb debug_rss=true expansion=true mode=opt restraints=qm engine=aimnet2 clustering=false minimizer=lbfgs gradient_only=true use_reduce=False select_within_radius=7 number_of_micro_cycles=100 max_iterations_refine=100 &>1u9o.log qr.refine /net/cci-gpu-00/raid1/scratch1/pavel/pairs/regularized_V3a/2a8z.pdb debug_rss=true expansion=true mode=opt restraints=qm engine=aimnet2 clustering=false minimizer=lbfgs gradient_only=true use_reduce=False select_within_radius=7 number_of_micro_cycles=100 max_iterations_refine=100>& 2a8z.log