=>> Init data Presuming executables of amber suite to be in /home/cmche/amber10/exe =>> Reading input parameters Found PREFIX => md35 Found PATH => ./ Found COMPLEX => 1 Found RECEPTOR => 1 Found LIGAND => 1 Found COMPT => ../../prmtop/cpt_wild_complex3.prmtop Found RECPT => ../prmtop/cpt_wild_receptor3.prmtop Found LIGPT => ../prmtop/cpt_ligand.prmtop Found GC => 1 Found AS => 0 Found DC => 0 Found MM => 0 Found GB => 0 Found PB => 0 Found MS => 0 Found NM => 0 Found BOX => YES Found NTOTAL => 94336 Found NSTART => 1 Found NSTOP => 100 Found NFREQ => 10 Found NUMBER_LIG_GROUPS => 1 Found LSTART => 10862 Found LSTOP => 10903 Found NUMBER_REC_GROUPS => 1 Found RSTART => 1 Found RSTOP => 10861 Found TRAJECTORY => ../md35.mdcrd.gz Found DELPHI => /home/gohlke/src/delphi.98/exe.R10000/delphi =>> Checking sanity Checking GENERAL Setting START to default 1 Setting STOP to default 10e10 Setting OFFSET to default 1 Setting VERBOSE to default 0 Checking GC Checking TRAJ =>> Creating input make_crd input =>> Creating coordinates Executing makecrd Amber8 Module: make_crg_hg usage: make_crd_hg < trajectory_file Box info found: 86.9190000000000 93.6350000000000 115.198000000000 Box info found: 86.9240000000000 93.6410000000000 115.205000000000 Box info found: 86.9200000000000 93.6360000000000 115.199000000000 Box info found: 86.9460000000000 93.6650000000000 115.234000000000 Box info found: 86.9270000000000 93.6440000000000 115.208000000000 Box info found: 86.9120000000000 93.6280000000000 115.188000000000 Box info found: 86.9180000000000 93.6350000000000 115.197000000000 Box info found: 86.9320000000000 93.6500000000000 115.215000000000 Box info found: 86.9200000000000 93.6370000000000 115.199000000000 Box info found: 86.9080000000000 93.6230000000000 115.183000000000 Box info found: 86.9330000000000 93.6500000000000 115.216000000000 Box info found: 86.9280000000000 93.6450000000000 115.210000000000 Box info found: 86.9480000000000 93.6670000000000 115.237000000000 Box info found: 86.9280000000000 93.6450000000000 115.210000000000 Box info found: 86.9560000000000 93.6760000000000 115.247000000000 Box info found: 86.9350000000000 93.6520000000000 115.219000000000 Box info found: 86.9200000000000 93.6360000000000 115.199000000000 Box info found: 86.9110000000000 93.6270000000000 115.188000000000 Box info found: 86.8880000000000 93.6020000000000 115.157000000000 Box info found: 86.9030000000000 93.6180000000000 115.176000000000 Box info found: 86.9010000000000 93.6160000000000 115.173000000000 Box info found: 86.8990000000000 93.6130000000000 115.171000000000 Box info found: 86.9020000000000 93.6170000000000 115.175000000000 Box info found: 86.9380000000000 93.6560000000000 115.223000000000 Box info found: 86.9100000000000 93.6260000000000 115.186000000000 Box info found: 86.9350000000000 93.6520000000000 115.218000000000 Box info found: 86.9190000000000 93.6360000000000 115.198000000000 Box info found: 86.9230000000000 93.6390000000000 115.203000000000 Box info found: 86.9090000000000 93.6250000000000 115.184000000000 Box info found: 86.9240000000000 93.6410000000000 115.205000000000 Box info found: 86.9490000000000 93.6680000000000 115.238000000000 Box info found: 86.9420000000000 93.6610000000000 115.229000000000 Box info found: 86.9330000000000 93.6510000000000 115.217000000000 Box info found: 86.9100000000000 93.6260000000000 115.186000000000 Box info found: 86.9300000000000 93.6470000000000 115.213000000000 Box info found: 86.9640000000000 93.6840000000000 115.257000000000 Box info found: 86.9520000000000 93.6710000000000 115.242000000000 Box info found: 86.9400000000000 93.6580000000000 115.225000000000 Box info found: 86.9630000000000 93.6830000000000 115.257000000000 Box info found: 86.9410000000000 93.6590000000000 115.227000000000 Box info found: 86.9260000000000 93.6430000000000 115.207000000000 Box info found: 86.9420000000000 93.6600000000000 115.228000000000 Box info found: 86.9090000000000 93.6250000000000 115.184000000000 Box info found: 86.9070000000000 93.6220000000000 115.182000000000 Box info found: 86.9190000000000 93.6360000000000 115.198000000000 Box info found: 86.9500000000000 93.6690000000000 115.239000000000 Box info found: 86.9380000000000 93.6560000000000 115.223000000000 Box info found: 86.9480000000000 93.6660000000000 115.236000000000 Box info found: 86.9100000000000 93.6260000000000 115.186000000000 Box info found: 86.9280000000000 93.6450000000000 115.209000000000 Box info found: 86.9280000000000 93.6460000000000 115.210000000000 Box info found: 86.9400000000000 93.6580000000000 115.226000000000 Box info found: 86.9270000000000 93.6440000000000 115.208000000000 Box info found: 86.9370000000000 93.6550000000000 115.222000000000 Box info found: 86.9240000000000 93.6410000000000 115.205000000000 Box info found: 86.9070000000000 93.6230000000000 115.183000000000 Box info found: 86.9010000000000 93.6160000000000 115.174000000000 Box info found: 86.8810000000000 93.5950000000000 115.148000000000 Box info found: 86.8880000000000 93.6020000000000 115.156000000000 Box info found: 86.9050000000000 93.6210000000000 115.180000000000 Box info found: 86.8980000000000 93.6130000000000 115.170000000000 Box info found: 86.8870000000000 93.6010000000000 115.155000000000 Box info found: 86.9240000000000 93.6410000000000 115.205000000000 Box info found: 86.9130000000000 93.6290000000000 115.190000000000 Box info found: 86.9060000000000 93.6210000000000 115.180000000000 Box info found: 86.9270000000000 93.6440000000000 115.209000000000 Box info found: 86.9320000000000 93.6500000000000 115.216000000000 Box info found: 86.9330000000000 93.6500000000000 115.216000000000 Box info found: 86.9260000000000 93.6430000000000 115.207000000000 Box info found: 86.9000000000000 93.6150000000000 115.173000000000 Box info found: 86.8850000000000 93.5980000000000 115.152000000000 Box info found: 86.9130000000000 93.6280000000000 115.189000000000 Box info found: 86.9120000000000 93.6280000000000 115.188000000000 Box info found: 86.9210000000000 93.6380000000000 115.201000000000 Box info found: 86.9440000000000 93.6630000000000 115.231000000000 Box info found: 86.9310000000000 93.6480000000000 115.213000000000 Box info found: 86.9150000000000 93.6310000000000 115.192000000000 Box info found: 86.9180000000000 93.6340000000000 115.196000000000 Box info found: 86.9170000000000 93.6330000000000 115.195000000000 Box info found: 86.9190000000000 93.6360000000000 115.198000000000 Box info found: 86.9120000000000 93.6280000000000 115.189000000000 Box info found: 86.9340000000000 93.6520000000000 115.218000000000 Box info found: 86.9130000000000 93.6290000000000 115.190000000000 Box info found: 86.9260000000000 93.6430000000000 115.208000000000 Box info found: 86.9360000000000 93.6540000000000 115.221000000000 Box info found: 86.9450000000000 93.6630000000000 115.232000000000 Box info found: 86.9520000000000 93.6710000000000 115.242000000000 Box info found: 86.9560000000000 93.6760000000000 115.247000000000 Box info found: 86.9630000000000 93.6830000000000 115.256000000000 Box info found: 86.9420000000000 93.6600000000000 115.228000000000 Box info found: 86.9420000000000 93.6600000000000 115.228000000000 Box info found: 86.9700000000000 93.6900000000000 115.265000000000 Box info found: 86.9560000000000 93.6750000000000 115.247000000000 Box info found: 86.9530000000000 93.6720000000000 115.243000000000 Box info found: 86.9440000000000 93.6630000000000 115.231000000000 Box info found: 86.9430000000000 93.6620000000000 115.230000000000 Box info found: 86.9750000000000 93.6960000000000 115.272000000000 Box info found: 86.9720000000000 93.6920000000000 115.268000000000 Box info found: 86.9510000000000 93.6700000000000 115.241000000000 Box info found: 86.9380000000000 93.6560000000000 115.223000000000