Dear users, In Gromacs 4.5.3, atom types are defined in /share/top/oplsaa.ff/atomtypes.atp. The corresponding bonds for diffrent atopm pairs are described as between opls_001 and opls_965. I have a CNT, I need C-C intereaction, which one should I choose? Second question; where can I find info about opls_XXX?
trevor
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