[gmx-users] OPLSAA parameters
Mark.Abraham at anu.edu.au
Fri Nov 21 08:54:54 CET 2008
> Hi Mark,
> the atom types in .top file is opls_???, but the atom types(or "name")
> in [bondtypes] in ffoplsaabon.itp file is C, H, CT, C_3, etc.
> So we still need to look up ffoplsaanb.itp to link these two "atom type"
> (or "name"), right?
OK, whatever... as I said, different force fields have different mechanisms.
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