[gmx-users] How to generate opls aa parameters for new element myself?
mark.j.abraham at gmail.com
Tue May 31 19:22:12 CEST 2016
I would start the other way around. Review the literature of who has
successfully modelled a metal surface plus a peptide, and plan to learn
from what they did. It may be clear to use some other software or force
On Tue, 31 May 2016 06:52 Wang Tao <wangtaoone at hotmail.com> wrote:
> I'm to conduct a MD simulation of a system in which there are plenty of
> neutral Pt atoms . My software is gromacs, and the foece field is opls aa.
> The proplem is ,there is no avalable opls aa force filed parameters for
> Pt.So I plan to generate one myself.But i don't know what the correct
> process is .Can any one provide any instructions,please?
> Thank You
> Tao Wang
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