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11 lines
251 B
11 lines
251 B
2 years ago
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source leaprc.gaff
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SLV = loadmol2 water_mod.mol2
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loadamberparams water.frcmod
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check SLV
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saveoff SLV water.lib
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saveamberparm SLV water.parmtop water.inpcrd
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savepdb SLV water_gaff.pdb
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quit
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