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11 lines
333 B
11 lines
333 B
source leaprc.gaff |
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loadamberparams /home/adit/miniconda3/dat/leap/parm/frcmod.ions1lm_iod |
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loadoff ../urea/URA.lib |
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loadamberparams ../urea/urea.frcmod |
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loadoff ../water/water.lib |
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loadamberparams ../water/water.frcmod |
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SYSTEM = loadpdb system_init.pdb |
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list |
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saveamberparm SYSTEM system.prmtop system.inpcrd |
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savepdb SYSTEM system.pdb |
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quit
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