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14 lines
383 B
14 lines
383 B
2 years ago
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source leaprc.gaff
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loadamberparams /opt/conda/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 ../amoniak/AMK.lib
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loadamberparams ../amoniak/amoniak.frcmod
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loadoff ../air/air.lib
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loadamberparams ../air/air.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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