=>> Init data Presuming executables of amber suite to be in /opt/amber9/exe =>> Reading input parameters Found PREFIX => 1CGH Found PATH => ./ Found COMPLEX => 1 Found RECEPTOR => 1 Found LIGAND => 1 Found COMPT => ../../complex.top Found RECPT => ../../protein.top Found LIGPT => ../../ligand.top 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 => 32763 Found NSTART => 1 Found NSTOP => 50 Found NFREQ => 1 Found NUMBER_LIG_GROUPS => 1 Found LSTART => 1 Found LSTOP => 54 Found NUMBER_REC_GROUPS => 1 Found RSTART => 55 Found RSTOP => 3900 Found TRAJECTORY => ../../complex-wat-prod.mdcrd =>> Checking sanity Checking GENERAL 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: 75.3960000000000 75.3960000000000 75.3960000000000 Box info found: 75.3450000000000 75.3450000000000 75.3450000000000 Box info found: 75.3430000000000 75.3430000000000 75.3430000000000 Box info found: 75.3060000000000 75.3060000000000 75.3060000000000 Box info found: 75.2990000000000 75.2990000000000 75.2990000000000 Box info found: 75.2740000000000 75.2740000000000 75.2740000000000 Box info found: 75.2450000000000 75.2450000000000 75.2450000000000 Box info found: 75.2510000000000 75.2510000000000 75.2510000000000 Box info found: 75.2610000000000 75.2610000000000 75.2610000000000 Box info found: 75.2500000000000 75.2500000000000 75.2500000000000 Box info found: 75.2520000000000 75.2520000000000 75.2520000000000 Box info found: 75.2580000000000 75.2580000000000 75.2580000000000 Box info found: 75.2250000000000 75.2250000000000 75.2250000000000 Box info found: 75.2040000000000 75.2040000000000 75.2040000000000 Box info found: 75.2120000000000 75.2120000000000 75.2120000000000 Box info found: 75.1950000000000 75.1950000000000 75.1950000000000 Box info found: 75.1900000000000 75.1900000000000 75.1900000000000 Box info found: 75.2130000000000 75.2130000000000 75.2130000000000 Box info found: 75.2040000000000 75.2040000000000 75.2040000000000 Box info found: 75.2060000000000 75.2060000000000 75.2060000000000 Box info found: 75.2340000000000 75.2340000000000 75.2340000000000 Box info found: 75.2520000000000 75.2520000000000 75.2520000000000 Box info found: 75.2380000000000 75.2380000000000 75.2380000000000 Box info found: 75.2840000000000 75.2840000000000 75.2840000000000 Box info found: 75.2530000000000 75.2530000000000 75.2530000000000 Box info found: 75.2820000000000 75.2820000000000 75.2820000000000 Box info found: 75.2740000000000 75.2740000000000 75.2740000000000 Box info found: 75.2580000000000 75.2580000000000 75.2580000000000 Box info found: 75.2410000000000 75.2410000000000 75.2410000000000 Box info found: 75.2650000000000 75.2650000000000 75.2650000000000 Box info found: 75.2610000000000 75.2610000000000 75.2610000000000 Box info found: 75.2430000000000 75.2430000000000 75.2430000000000 Box info found: 75.2500000000000 75.2500000000000 75.2500000000000 Box info found: 75.2590000000000 75.2590000000000 75.2590000000000 Box info found: 75.2550000000000 75.2550000000000 75.2550000000000 Box info found: 75.2400000000000 75.2400000000000 75.2400000000000 Box info found: 75.2370000000000 75.2370000000000 75.2370000000000 Box info found: 75.2470000000000 75.2470000000000 75.2470000000000 Box info found: 75.2040000000000 75.2040000000000 75.2040000000000 Box info found: 75.2040000000000 75.2040000000000 75.2040000000000 Box info found: 75.2050000000000 75.2050000000000 75.2050000000000 Box info found: 75.2100000000000 75.2100000000000 75.2100000000000 Box info found: 75.1850000000000 75.1850000000000 75.1850000000000 Box info found: 75.1960000000000 75.1960000000000 75.1960000000000 Box info found: 75.2170000000000 75.2170000000000 75.2170000000000 Box info found: 75.2330000000000 75.2330000000000 75.2330000000000 Box info found: 75.2400000000000 75.2400000000000 75.2400000000000 Box info found: 75.2370000000000 75.2370000000000 75.2370000000000 Box info found: 75.2370000000000 75.2370000000000 75.2370000000000 Box info found: 75.2090000000000 75.2090000000000 75.2090000000000