[gmx-users] How to generate opls aa parameters for new element myself?

[Mark Abraham]

Hi,

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
field.

Mark

On Tue, 31 May 2016 06:52 Wang Tao <wangtaoone at hotmail.com> wrote:

> Hello,everyone!
>
> 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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