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gezhenpeng铜虫 (小有名气)
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[求助]
AMBER mm_pbsa.pl 无法提取构象
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我在使用mm_pbsa.pl 的时候，第一步想先把构象提取出来，在shell中输入mm_pbsa.pl snapshot.in > 2.log,看上去程序正常结束，但是只有2.log文件，没有输出构象文件，希望大家可以帮我看一下。下面是我的log文件和snapshot.in文件 2.log =>> Init data Presuming executables of amber suite to be in /home_soft/soft/x86_64/apps/OpenSoft/Chem/amber10/exe =>> Reading input parameters Found PREFIX => block0 Found PATH => /home_soft/home/Lixy/gezhenpeng/cytc/ocyt_amber10_openmpi/production/x64_small_8core/4th/mmpbsa Found COMPLEX => 1 Found RECEPTOR => 1 Found LIGAND => 1 Found COMPT => cmp.prmtop Found RECPT => wat.prmtop Found LIGPT => solute.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 => 37276 Found NSTART => 1 Found NSTOP => 303 Found NFREQ => 1 Found NUMBER_LIG_GROUPS => 1 Found LSTART => 1 Found LSTOP => 3537 Found NUMBER_REC_GROUPS => 1 Found RSTART => 3538 Found RSTOP => 37236 Found TRAJECTORY => cmps_eq8.0_8.6ns.mdcrd =>> 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: 88.9110000000000 89.1370000000000 53.8180000000000 Box info found: 88.8950000000000 89.1210000000000 53.8080000000000 Box info found: 88.8730000000000 89.1000000000000 53.7960000000000 Box info found: 88.8720000000000 89.0980000000000 53.7950000000000 Box info found: 88.8820000000000 89.1080000000000 53.8010000000000 Box info found: 88.8670000000000 89.0930000000000 53.7920000000000 Box info found: 88.8670000000000 89.0930000000000 53.7920000000000 Box info found: 88.8740000000000 89.1000000000000 53.7960000000000 Box info found: 88.8550000000000 89.0810000000000 53.7840000000000 Box info found: 88.8500000000000 89.0760000000000 53.7820000000000 Box info found: 88.8650000000000 89.0910000000000 53.7900000000000 Box info found: 88.8340000000000 89.0600000000000 53.7720000000000 Box info found: 88.8400000000000 89.0660000000000 53.7760000000000 Box info found: 88.8300000000000 89.0560000000000 53.7690000000000 Box info found: 88.8050000000000 89.0310000000000 53.7550000000000 Box info found: 88.7910000000000 89.0170000000000 53.7460000000000 Box info found: 88.7850000000000 89.0110000000000 53.7420000000000 Box info found: 88.8140000000000 89.0400000000000 53.7600000000000 Box info found: 88.8480000000000 89.0750000000000 53.7810000000000 Box info found: 88.8330000000000 89.0590000000000 53.7710000000000 Box info found: 88.8000000000000 89.0260000000000 53.7510000000000 Box info found: 88.8300000000000 89.0560000000000 53.7690000000000 Box info found: 88.8250000000000 89.0510000000000 53.7670000000000 Box info found: 88.7980000000000 89.0240000000000 53.7500000000000 Box info found: 88.7890000000000 89.0150000000000 53.7450000000000 Box info found: 88.7920000000000 89.0180000000000 53.7460000000000 Box info found: 88.8010000000000 89.0270000000000 53.7520000000000 Box info found: 88.8250000000000 89.0510000000000 53.7660000000000 Box info found: 88.8420000000000 89.0680000000000 53.7770000000000 Box info found: 88.8410000000000 89.0670000000000 53.7760000000000 Box info found: 88.8490000000000 89.0750000000000 53.7810000000000 Box info found: 88.8630000000000 89.0890000000000 53.7890000000000 Box info found: 88.8800000000000 89.1060000000000 53.8000000000000 Box info found: 88.8980000000000 89.1250000000000 53.8110000000000 Box info found: 88.8800000000000 89.1060000000000 53.8000000000000 Box info found: 88.8590000000000 89.0850000000000 53.7870000000000 Box info found: 88.8660000000000 89.0920000000000 53.7910000000000 Box info found: 88.8710000000000 89.0970000000000 53.7940000000000 Box info found: 88.8570000000000 89.0830000000000 53.7860000000000 Box info found: 88.8400000000000 89.0660000000000 53.7750000000000 Box info found: 88.8410000000000 89.0680000000000 53.7760000000000 Box info found: 88.8460000000000 89.0720000000000 53.7790000000000 Box info found: 88.8360000000000 89.0620000000000 53.7730000000000 Box info found: 88.8390000000000 89.0650000000000 53.7750000000000 Box info found: 88.8500000000000 89.0770000000000 53.7820000000000 Box info found: 88.8580000000000 89.0840000000000 53.7860000000000 Box info found: 88.8660000000000 89.0930000000000 53.7910000000000 Box info found: 88.8620000000000 89.0890000000000 53.7890000000000 Box info found: 88.8410000000000 89.0670000000000 53.7760000000000 Box info found: 88.8330000000000 89.0590000000000 53.7710000000000 Box info found: 88.8200000000000 89.0460000000000 53.7640000000000 Box info found: 88.8060000000000 89.0320000000000 53.7550000000000 Box info found: 88.8350000000000 89.0610000000000 53.7720000000000 Box info found: 88.8580000000000 89.0840000000000 53.7860000000000 Box info found: 88.8660000000000 89.0920000000000 53.7910000000000 Box info found: 88.8800000000000 89.1060000000000 53.7990000000000 Box info found: 88.8820000000000 89.1080000000000 53.8010000000000 Box info found: 88.8560000000000 89.0830000000000 53.7850000000000 Box info found: 88.8710000000000 89.0970000000000 53.7940000000000 Box info found: 88.8740000000000 89.1010000000000 53.7960000000000 Box info found: 88.8450000000000 89.0710000000000 53.7780000000000 Box info found: 88.8460000000000 89.0720000000000 53.7790000000000 Box info found: 88.8630000000000 89.0890000000000 53.7890000000000 Box info found: 88.8290000000000 89.0550000000000 53.7690000000000 Box info found: 88.8350000000000 89.0620000000000 53.7730000000000 Box info found: 88.8670000000000 89.0930000000000 53.7920000000000 Box info found: 88.8600000000000 89.0860000000000 53.7880000000000 Box info found: 88.9000000000000 89.1260000000000 53.8120000000000 Box info found: 88.8990000000000 89.1250000000000 53.8110000000000 Box info found: 88.9050000000000 89.1310000000000 53.8150000000000 Box info found: 88.8870000000000 89.1130000000000 53.8040000000000 Box info found: 88.8790000000000 89.1050000000000 53.7990000000000 Box info found: 88.8800000000000 89.1070000000000 53.8000000000000 Box info found: 88.8600000000000 89.0860000000000 53.7880000000000 Box info found: 88.8600000000000 89.0870000000000 53.7880000000000 Box info found: 88.8650000000000 89.0910000000000 53.7910000000000 Box info found: 88.8780000000000 89.1050000000000 53.7990000000000 Box info found: 88.8600000000000 89.0860000000000 53.7870000000000 Box info found: 88.8820000000000 89.1080000000000 53.8010000000000 Box info found: 88.8870000000000 89.1130000000000 53.8040000000000 Box info found: 88.9050000000000 89.1310000000000 53.8150000000000 Box info found: 88.8960000000000 89.1220000000000 53.8090000000000 Box info found: 88.8510000000000 89.0780000000000 53.7820000000000 Box info found: 88.8520000000000 89.0780000000000 53.7830000000000 Box info found: 88.8590000000000 89.0850000000000 53.7870000000000 Box info found: 88.8520000000000 89.0790000000000 53.7830000000000 Box info found: 88.8630000000000 89.0890000000000 53.7890000000000 Box info found: 88.8710000000000 89.0970000000000 53.7940000000000 Box info found: 88.8720000000000 89.0980000000000 53.7950000000000 Box info found: 88.8700000000000 89.0960000000000 53.7940000000000 Box info found: 88.8730000000000 89.1000000000000 53.7960000000000 Box info found: 88.8410000000000 89.0670000000000 53.7760000000000 Box info found: 88.8590000000000 89.0850000000000 53.7870000000000 Box info found: 88.8420000000000 89.0680000000000 53.7770000000000 Box info found: 88.8760000000000 89.1020000000000 53.7970000000000 Box info found: 88.8660000000000 89.0920000000000 53.7910000000000 Box info found: 88.8660000000000 89.0930000000000 53.7910000000000 Box info found: 88.8610000000000 89.0870000000000 53.7880000000000 Box info found: 88.8650000000000 89.0920000000000 53.7910000000000 Box info found: 88.8790000000000 89.1050000000000 53.7990000000000 Box info found: 88.8790000000000 89.1050000000000 53.7990000000000 Box info found: 88.8890000000000 89.1150000000000 53.8050000000000 Box info found: 88.8940000000000 89.1200000000000 53.8080000000000 Box info found: 88.8940000000000 89.1210000000000 53.8080000000000 Box info found: 88.8850000000000 89.1110000000000 53.8030000000000 Box info found: 88.8540000000000 89.0800000000000 53.7840000000000 Box info found: 88.8540000000000 89.0800000000000 53.7840000000000 Box info found: 88.8640000000000 89.0910000000000 53.7900000000000 Box info found: 88.8760000000000 89.1020000000000 53.7970000000000 Box info found: 88.8880000000000 89.1140000000000 53.8040000000000 Box info found: 88.8750000000000 89.1010000000000 53.7970000000000 Box info found: 88.8780000000000 89.1040000000000 53.7980000000000 Box info found: 88.8680000000000 89.0940000000000 53.7920000000000 Box info found: 88.8710000000000 89.0980000000000 53.7940000000000 Box info found: 88.8860000000000 89.1120000000000 53.8030000000000 Box info found: 88.8710000000000 89.0970000000000 53.7940000000000 Box info found: 88.8650000000000 89.0920000000000 53.7910000000000 Box info found: 88.8380000000000 89.0650000000000 53.7750000000000 Box info found: 88.8180000000000 89.0440000000000 53.7620000000000 Box info found: 88.7930000000000 89.0190000000000 53.7470000000000 Box info found: 88.8190000000000 89.0450000000000 53.7620000000000 Box info found: 88.8410000000000 89.0670000000000 53.7760000000000 Box info found: 88.8170000000000 89.0430000000000 53.7620000000000 Box info found: 88.8300000000000 89.0560000000000 53.7690000000000 Box info found: 88.8240000000000 89.0500000000000 53.7660000000000 Box info found: 88.8200000000000 89.0460000000000 53.7630000000000 Box info found: 88.8040000000000 89.0300000000000 53.7540000000000 Box info found: 88.8410000000000 89.0670000000000 53.7760000000000 Box info found: 88.8670000000000 89.0930000000000 53.7920000000000 Box info found: 88.8580000000000 89.0840000000000 53.7860000000000 Box info found: 88.8490000000000 89.0750000000000 53.7810000000000 Box info found: 88.8580000000000 89.0840000000000 53.7860000000000 Box info found: 88.8730000000000 89.1000000000000 53.7960000000000 Box info found: 88.8550000000000 89.0820000000000 53.7850000000000 Box info found: 88.8390000000000 89.0650000000000 53.7750000000000 Box info found: 88.8120000000000 89.0380000000000 53.7580000000000 Box info found: 88.8020000000000 89.0280000000000 53.7530000000000 Box info found: 88.8020000000000 89.0280000000000 53.7530000000000 Box info found: 88.8430000000000 89.0690000000000 53.7770000000000 Box info found: 88.8270000000000 89.0530000000000 53.7680000000000 Box info found: 88.8200000000000 89.0460000000000 53.7630000000000 Box info found: 88.7460000000000 88.9720000000000 53.7190000000000 Box info found: 88.7270000000000 88.9530000000000 53.7070000000000 Box info found: 88.7200000000000 88.9450000000000 53.7030000000000 Box info found: 88.7450000000000 88.9710000000000 53.7180000000000 Box info found: 88.7620000000000 88.9880000000000 53.7280000000000 Box info found: 88.7490000000000 88.9750000000000 53.7210000000000 Box info found: 88.7720000000000 88.9980000000000 53.7340000000000 Box info found: 88.7720000000000 88.9980000000000 53.7340000000000 Box info found: 88.7720000000000 88.9980000000000 53.7340000000000 Box info found: 88.7870000000000 89.0130000000000 53.7430000000000 Box info found: 88.7780000000000 89.0040000000000 53.7380000000000 Box info found: 88.7850000000000 89.0110000000000 53.7420000000000 Box info found: 88.8030000000000 89.0290000000000 53.7530000000000 Box info found: 88.8020000000000 89.0280000000000 53.7520000000000 Box info found: 88.8030000000000 89.0290000000000 53.7530000000000 Box info found: 88.8350000000000 89.0610000000000 53.7730000000000 Box info found: 88.8620000000000 89.0880000000000 53.7890000000000 Box info found: 88.8860000000000 89.1120000000000 53.8030000000000 Box info found: 88.8930000000000 89.1190000000000 53.8070000000000 Box info found: 88.9200000000000 89.1460000000000 53.8240000000000 Box info found: 88.9360000000000 89.1620000000000 53.8330000000000 Box info found: 88.9220000000000 89.1490000000000 53.8250000000000 Box info found: 88.9010000000000 89.1270000000000 53.8120000000000 Box info found: 88.8830000000000 89.1090000000000 53.8010000000000 Box info found: 88.8890000000000 89.1150000000000 53.8050000000000 Box info found: 88.8770000000000 89.1030000000000 53.7980000000000 Box info found: 88.8740000000000 89.1000000000000 53.7960000000000 Box info found: 88.8800000000000 89.1060000000000 53.8000000000000 Box info found: 88.9050000000000 89.1310000000000 53.8150000000000 Box info found: 88.9050000000000 89.1310000000000 53.8150000000000 Box info found: 88.8840000000000 89.1110000000000 53.8020000000000 Box info found: 88.8740000000000 89.1000000000000 53.7960000000000 Box info found: 88.8820000000000 89.1080000000000 53.8010000000000 Box info found: 88.8930000000000 89.1190000000000 53.8070000000000 Box info found: 88.8680000000000 89.0940000000000 53.7920000000000 Box info found: 88.8640000000000 89.0900000000000 53.7900000000000 Box info found: 88.8680000000000 89.0940000000000 53.7920000000000 Box info found: 88.8550000000000 89.0810000000000 53.7850000000000 Box info found: 88.8620000000000 89.0880000000000 53.7880000000000 Box info found: 88.8600000000000 89.0860000000000 53.7880000000000 Box info found: 88.8450000000000 89.0710000000000 53.7780000000000 Box info found: 88.8240000000000 89.0500000000000 53.7660000000000 Box info found: 88.8450000000000 89.0720000000000 53.7790000000000 Box info found: 88.8780000000000 89.1050000000000 53.7990000000000 Box info found: 88.8650000000000 89.0920000000000 53.7910000000000 Box info found: 88.8330000000000 89.0590000000000 53.7710000000000 Box info found: 88.8530000000000 89.0790000000000 53.7830000000000 Box info found: 88.8400000000000 89.0660000000000 53.7750000000000 Box info found: 88.8530000000000 89.0790000000000 53.7830000000000 Box info found: 88.8610000000000 89.0870000000000 53.7880000000000 Box info found: 88.8540000000000 89.0800000000000 53.7840000000000 Box info found: 88.8300000000000 89.0560000000000 53.7690000000000 Box info found: 88.8300000000000 89.0560000000000 53.7690000000000 Box info found: 88.8230000000000 89.0500000000000 53.7650000000000 Box info found: 88.8520000000000 89.0780000000000 53.7820000000000 Box info found: 88.8620000000000 89.0880000000000 53.7890000000000 Box info found: 88.8610000000000 89.0870000000000 53.7880000000000 Box info found: 88.8530000000000 89.0790000000000 53.7830000000000 Box info found: 88.8520000000000 89.0780000000000 53.7830000000000 Box info found: 88.8320000000000 89.0580000000000 53.7700000000000 Box info found: 88.8500000000000 89.0760000000000 53.7820000000000 Box info found: 88.8770000000000 89.1040000000000 53.7980000000000 Box info found: 88.8510000000000 89.0770000000000 53.7820000000000 Box info found: 88.8350000000000 89.0610000000000 53.7720000000000 Box info found: 88.8090000000000 89.0350000000000 53.7570000000000 Box info found: 88.8010000000000 89.0270000000000 53.7520000000000 Box info found: 88.8350000000000 89.0610000000000 53.7720000000000 Box info found: 88.8190000000000 89.0450000000000 53.7630000000000 Box info found: 88.8290000000000 89.0550000000000 53.7690000000000 Box info found: 88.8750000000000 89.1020000000000 53.7970000000000 Box info found: 88.8680000000000 89.0940000000000 53.7920000000000 Box info found: 88.8450000000000 89.0710000000000 53.7790000000000 Box info found: 88.8290000000000 89.0550000000000 53.7690000000000 Box info found: 88.8420000000000 89.0680000000000 53.7770000000000 Box info found: 88.8530000000000 89.0790000000000 53.7830000000000 Box info found: 88.8380000000000 89.0640000000000 53.7740000000000 Box info found: 88.8440000000000 89.0700000000000 53.7780000000000 Box info found: 88.8530000000000 89.0790000000000 53.7830000000000 Box info found: 88.8540000000000 89.0800000000000 53.7840000000000 Box info found: 88.8460000000000 89.0730000000000 53.7790000000000 Box info found: 88.8120000000000 89.0380000000000 53.7580000000000 Box info found: 88.8010000000000 89.0270000000000 53.7520000000000 Box info found: 88.8040000000000 89.0300000000000 53.7540000000000 Box info found: 88.8010000000000 89.0270000000000 53.7520000000000 Box info found: 88.7930000000000 89.0190000000000 53.7470000000000 Box info found: 88.8000000000000 89.0260000000000 53.7510000000000 Box info found: 88.8190000000000 89.0450000000000 53.7630000000000 Box info found: 88.8330000000000 89.0590000000000 53.7710000000000 Box info found: 88.8710000000000 89.0970000000000 53.7940000000000 Box info found: 88.8720000000000 89.0980000000000 53.7950000000000 Box info found: 88.8510000000000 89.0770000000000 53.7820000000000 Box info found: 88.8490000000000 89.0750000000000 53.7810000000000 Box info found: 88.8610000000000 89.0870000000000 53.7880000000000 Box info found: 88.8430000000000 89.0690000000000 53.7770000000000 Box info found: 88.8780000000000 89.1040000000000 53.7980000000000 Box info found: 88.8890000000000 89.1150000000000 53.8050000000000 Box info found: 88.8690000000000 89.0950000000000 53.7930000000000 Box info found: 88.8690000000000 89.0950000000000 53.7930000000000 Box info found: 88.8830000000000 89.1100000000000 53.8020000000000 Box info found: 88.8650000000000 89.0920000000000 53.7910000000000 Box info found: 88.8510000000000 89.0770000000000 53.7820000000000 Box info found: 88.8660000000000 89.0920000000000 53.7910000000000 Box info found: 88.8570000000000 89.0830000000000 53.7850000000000 Box info found: 88.8360000000000 89.0620000000000 53.7730000000000 Box info found: 88.8240000000000 89.0500000000000 53.7660000000000 Box info found: 88.8630000000000 89.0900000000000 53.7900000000000 Box info found: 88.8730000000000 89.0990000000000 53.7950000000000 Box info found: 88.8790000000000 89.1050000000000 53.7990000000000 Box info found: 88.8520000000000 89.0780000000000 53.7830000000000 Box info found: 88.8700000000000 89.0960000000000 53.7940000000000 Box info found: 88.8630000000000 89.0890000000000 53.7890000000000 Box info found: 88.8620000000000 89.0880000000000 53.7890000000000 Box info found: 88.8480000000000 89.0740000000000 53.7800000000000 Box info found: 88.8430000000000 89.0690000000000 53.7770000000000 Box info found: 88.8020000000000 89.0280000000000 53.7520000000000 Box info found: 88.7900000000000 89.0160000000000 53.7450000000000 Box info found: 88.7780000000000 89.0040000000000 53.7380000000000 Box info found: 88.7910000000000 89.0170000000000 53.7460000000000 Box info found: 88.8030000000000 89.0290000000000 53.7530000000000 Box info found: 88.8050000000000 89.0310000000000 53.7540000000000 Box info found: 88.8160000000000 89.0420000000000 53.7610000000000 Box info found: 88.8210000000000 89.0470000000000 53.7640000000000 Box info found: 88.8140000000000 89.0400000000000 53.7600000000000 Box info found: 88.8150000000000 89.0410000000000 53.7600000000000 Box info found: 88.8340000000000 89.0600000000000 53.7720000000000 Box info found: 88.7980000000000 89.0240000000000 53.7500000000000 Box info found: 88.7860000000000 89.0120000000000 53.7430000000000 Box info found: 88.8200000000000 89.0460000000000 53.7630000000000 Box info found: 88.8370000000000 89.0630000000000 53.7740000000000 Box info found: 88.8260000000000 89.0520000000000 53.7670000000000 Box info found: 88.8370000000000 89.0630000000000 53.7740000000000 Box info found: 88.8170000000000 89.0430000000000 53.7620000000000 Box info found: 88.8400000000000 89.0660000000000 53.7750000000000 Box info found: 88.8420000000000 89.0680000000000 53.7760000000000 Box info found: 88.8310000000000 89.0570000000000 53.7700000000000 Box info found: 88.8320000000000 89.0580000000000 53.7710000000000 Box info found: 88.8320000000000 89.0580000000000 53.7710000000000 Box info found: 88.8340000000000 89.0600000000000 53.7720000000000 Box info found: 88.8790000000000 89.1060000000000 53.7990000000000 Box info found: 88.9320000000000 89.1590000000000 53.8310000000000 Box info found: 88.9350000000000 89.1620000000000 53.8330000000000 Box info found: 88.9350000000000 89.1620000000000 53.8330000000000 Box info found: 88.9310000000000 89.1580000000000 53.8310000000000 Box info found: 88.9420000000000 89.1680000000000 53.8370000000000 Box info found: 88.9200000000000 89.1460000000000 53.8240000000000 Box info found: 88.8800000000000 89.1060000000000 53.8000000000000 Box info found: 88.8810000000000 89.1070000000000 53.8000000000000 Box info found: 88.8420000000000 89.0680000000000 53.7770000000000 Box info found: 88.8300000000000 89.0560000000000 53.7700000000000 Box info found: 88.8000000000000 89.0260000000000 53.7510000000000 Box info found: 88.7960000000000 89.0220000000000 53.7490000000000 Box info found: 88.8110000000000 89.0370000000000 53.7580000000000 Box info found: 88.8340000000000 89.0600000000000 53.7720000000000 Box info found: 88.8500000000000 89.0760000000000 53.7820000000000 Box info found: 88.8770000000000 89.1030000000000 53.7980000000000 Box info found: 88.8640000000000 89.0900000000000 53.7900000000000 Box info found: 88.8320000000000 89.0580000000000 53.7710000000000 Box info found: 88.8440000000000 89.0700000000000 53.7780000000000 Box info found: 88.8470000000000 89.0730000000000 53.7800000000000 Box info found: 88.8590000000000 89.0850000000000 53.7870000000000 Box info found: 88.8580000000000 89.0840000000000 53.7860000000000 Box info found: 88.8260000000000 89.0520000000000 53.7670000000000 snapshot.in文件 ################################################################################ @GENERAL PREFIX block0 PATH /home_soft/home/Lixy/gezhenpeng/cytc/ocyt_amber10_openmpi/production/x64_small_8core/4th/mmpbsa # COMPLEX 1 RECEPTOR 1 LIGAND 1 # COMPT cmp.prmtop RECPT wat.prmtop LIGPT solute.prmtop # GC 1 AS 0 DC 0 # MM 0 GB 0 PB 0 MS 0 # NM 0 # @MAKECRD BOX YES NTOTAL 37276 NSTART 1 NSTOP 303 NFREQ 1 # NUMBER_LIG_GROUPS 1 LSTART 1 LSTOP 3537 NUMBER_REC_GROUPS 1 RSTART 3538 RSTOP 37236 # @TRAJECTORY # #TRAJECTORY ../cmps_eq29.mdcrd.gz TRAJECTORY cmps_eq8.0_8.6ns.mdcrd #TRAJECTORY ../cmps_eq21.mdcrd.gz #TRAJECTORY ../cmps_eq22.mdcrd.gz #TRAJECTORY ../cmps_eq23.mdcrd.gz #TRAJECTORY ../cmps_eq24.mdcrd.gz #TRAJECTORY ../cmps_eq25.mdcrd.gz #TRAJECTORY ../cmps_eq26.mdcrd.gz #TRAJECTORY ../cmps_eq27.mdcrd.gz #TRAJECTORY ../cmps_eq28.mdcrd.gz #TRAJECTORY ../cmps_eq29.mdcrd.gz #TRAJECTORY ../cmps_eq30.mdcrd.gz # ################################################################################ @PROGRAMS # # Additional program executables can be defined here # # ################################################################################ |
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2楼2016-02-22 23:12:30