[gmx-users] opls parameters

Mark Abraham mark.abraham at anu.edu.au
Sun Dec 3 04:39:27 CET 2006

> Hi,
> I don't see why it doesn't all work, can you not just use the
> ffoplsaanb.itp file to map the opls_xxx names to the ones used in
> ffoplsbon.itp?

Yeah, that's what I thought, but the second field in the nb.itp is
"bond-type" and doesn't correspond like you'd think they might.


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