=>> Init data Presuming executables of amber suite to be in /home/amber9/exe =>> Reading input parameters Found PREFIX => snapshot Found PATH => ./ Found COMPLEX => 1 Found RECEPTOR => 1 Found LIGAND => 1 Found COMPT => ./egf-egfr.prmtop Found RECPT => ./egfr.prmtop Found LIGPT => ./egf.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 => 82192 Found NSTART => 1 Found NSTOP => 1000 Found NFREQ => 1 Found NUMBER_LIG_GROUPS => 1 Found LSTART => 7850 Found LSTOP => 8579 Found NUMBER_REC_GROUPS => 1 Found RSTART => 1 Found RSTOP => 7849 Found TRAJECTORY => ./prod1.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: -13.9890000000000 16.9530000000000 2.27000000000000 Box info found: -14.6330000000000 -8.20900000000000 -21.1220000000000 Box info found: 11.7190000000000 22.9000000000000 -17.6070000000000 Box info found: -37.7410000000000 43.2060000000000 0.921000000000000 Box info found: -4.42300000000000 -13.1840000000000 18.8230000000000 Box info found: 24.2160000000000 -2.09100000000000 13.0320000000000 Box info found: 10.3040000000000 14.4450000000000 3.45600000000000 Box info found: -20.4480000000000 45.8810000000000 -21.5430000000000 Box info found: 45.2040000000000 -8.47800000000000 -11.2460000000000 Box info found: 40.8890000000000 -19.1310000000000 -15.7630000000000 Box info found: 8.48000000000000 -4.81100000000000 3.71500000000000 Box info found: 19.2820000000000 -6.52100000000000 -19.3910000000000 Box info found: -31.3650000000000 20.3850000000000 -11.0510000000000 Box info found: -16.9190000000000 38.2330000000000 -7.07600000000000 Box info found: 28.3490000000000 -0.178000000000000 23.2370000000000 Box info found: 20.0200000000000 -17.1750000000000 41.3730000000000 Box info found: 8.73300000000000 -2.44700000000000 47.6540000000000 Box info found: 5.15100000000000 51.7360000000000 15.2350000000000 Box info found: 39.4740000000000 11.2630000000000 73.0770000000000 Box info found: -30.7730000000000 2.46500000000000 1.31300000000000 Box info found: -17.3100000000000 48.6120000000000 16.0930000000000 Box info found: -1.14800000000000 12.4430000000000 55.0070000000000 Box info found: 7.70100000000000 -1.64200000000000 -5.30100000000000 Box info found: -14.5160000000000 -5.87200000000000 -35.4930000000000 Box info found: 8.92000000000000 24.3460000000000 6.74200000000000 Box info found: 12.7370000000000 34.8500000000000 1.24200000000000 Box info found: 22.2050000000000 23.2360000000000 33.9940000000000 Box info found: 14.7660000000000 -8.89800000000000 -6.79400000000000 Box info found: 19.0150000000000 42.3520000000000 -1.29800000000000 Box info found: 2.14700000000000 33.9320000000000 11.3280000000000 Box info found: -6.71800000000000 11.0340000000000 28.9590000000000 Box info found: 30.2040000000000 54.9350000000000 12.8520000000000 Box info found: 23.5080000000000 -3.79600000000000 38.6310000000000 Box info found: 1.73800000000000 49.8440000000000 -5.42100000000000 Box info found: -0.627000000000000 50.0020000000000 -3.00300000000000 Box info found: 57.5210000000000 80.7160000000000 -12.6420000000000 Box info found: -18.3640000000000 79.0330000000000 12.0340000000000 Box info found: 47.8200000000000 85.8040000000000 22.1860000000000 Box info found: -30.5730000000000 -2.80200000000000 -18.0010000000000 Box info found: -16.3160000000000 20.2510000000000 -3.61600000000000 Box info found: -16.7310000000000 -9.43900000000000 1.62100000000000 Box info found: 7.34800000000000 46.3140000000000 28.2370000000000 Box info found: -18.6140000000000 6.19700000000000 -16.0570000000000 Box info found: -26.9130000000000 57.3170000000000 -8.77400000000000 Box info found: 29.5040000000000 80.3360000000000 4.44100000000000 Box info found: -5.58300000000000 60.6560000000000 69.5210000000000 Box info found: 3.79800000000000 -2.30400000000000 14.2840000000000 Box info found: -25.3780000000000 43.6240000000000 47.9360000000000 Box info found: -6.77000000000000 8.68700000000000 8.23200000000000 Box info found: -10.7730000000000 63.7020000000000 2.66200000000000 Box info found: 1.20500000000000 15.7490000000000 63.7290000000000 Box info found: -38.1860000000000 1.40800000000000 42.9400000000000 Box info found: 40.8850000000000 1.44200000000000 42.7340000000000 Box info found: 3.09200000000000 -14.8550000000000 -3.47200000000000 Box info found: 18.7250000000000 68.5850000000000 -1.35200000000000 Box info found: 24.9970000000000 57.1050000000000 -18.0840000000000 Box info found: 34.0660000000000 65.9320000000000 -16.5500000000000 Box info found: 21.9370000000000 36.1220000000000 37.5410000000000 Box info found: -5.79100000000000 89.8640000000000 -27.1900000000000 Box info found: 35.4020000000000 59.4730000000000 1.42100000000000 Box info found: 7.11400000000000 67.0120000000000 -39.1510000000000 Box info found: 12.5080000000000 28.1760000000000 -29.7930000000000 Box info found: 84.8550000000000 3.29500000000000 1.01500000000000 Box info found: 20.6670000000000 61.0290000000000 -11.8940000000000 Box info found: -43.6940000000000 17.0830000000000 -30.5810000000000 Box info found: -37.3470000000000 70.5060000000000 0.615000000000000 Box info found: -8.02900000000000 49.4530000000000 9.70100000000000 Box info found: -44.2210000000000 -5.06700000000000 32.1770000000000 Box info found: 31.7600000000000 36.0500000000000 -4.52200000000000 Box info found: 80.6730000000000 95.1980000000000 42.4280000000000 Box info found: 3.66200000000000 16.6100000000000 -43.3680000000000 Box info found: -11.2320000000000 2.10400000000000 -2.89300000000000 Box info found: -28.3290000000000 -4.57100000000000 -26.3460000000000 Box info found: 37.9960000000000 35.6080000000000 14.9730000000000 Box info found: -53.3660000000000 54.7110000000000 42.6420000000000 Box info found: 2.30000000000000 28.2970000000000 3.00300000000000 Box info found: -34.9720000000000 32.2130000000000 -3.29100000000000 Box info found: -45.3690000000000 8.17300000000000 30.1150000000000 Box info found: 55.7960000000000 49.9930000000000 -1.20400000000000 Box info found: 36.5720000000000 71.2440000000000 70.7220000000000 Box info found: 25.5450000000000 24.6980000000000 20.4120000000000 Box info found: -30.7190000000000 66.1390000000000 25.5850000000000 Box info found: 62.7940000000000 80.4910000000000 -18.7940000000000 Box info found: 15.9040000000000 32.0670000000000 48.5840000000000 Box info found: 13.7010000000000 80.0880000000000 -2.15200000000000 Box info found: -9.05500000000000 49.2760000000000 46.2290000000000 Box info found: -36.3680000000000 75.7260000000000 -14.4990000000000 Box info found: 8.94700000000000 63.8540000000000 13.5630000000000 Box info found: 4.47900000000000 37.8860000000000 14.1370000000000 Box info found: 25.8020000000000 51.5190000000000 15.0240000000000 Box info found: 37.9940000000000 79.9930000000000 53.0390000000000 Box info found: -14.6360000000000 53.0190000000000 -39.4160000000000 Box info found: -38.8360000000000 14.9870000000000 -24.2230000000000 Box info found: -29.4850000000000 24.4530000000000 3.48700000000000 Box info found: -25.9050000000000 84.6600000000000 59.9350000000000 Box info found: 12.1040000000000 75.4420000000000 0.510000000000000 Box info found: -36.1940000000000 64.7980000000000 20.5790000000000 Box info found: 27.3990000000000 47.2970000000000 0.298000000000000 Box info found: 14.3850000000000 30.6160000000000 4.96600000000000 Box info found: -12.1300000000000 48.8760000000000 -83.2900000000000