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11 lines
249 B
11 lines
249 B
2 years ago
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source leaprc.gaff
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AMK = loadmol2 amoniak_mod.mol2
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loadamberparams amoniak.frcmod
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check AMK
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saveoff AMK AMK.lib
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saveamberparm AMK AMK.parmtop AMK.inpcrd
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savepdb AMK AMK_gaff.pdb
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quit
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