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

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

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 wrote:

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

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