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11 lines
243 B
11 lines
243 B
2 years ago
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source leaprc.gaff
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URA = loadmol2 urea_mod.mol2
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loadamberparams urea.frcmod
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check URA
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saveoff URA URA.lib
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saveamberparm URA URA.parmtop URA.inpcrd
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savepdb URA URA_gaff.pdb
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quit
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