Re: Using non bonded energy table option

From: Peter Freddolino (petefred_at_umich.edu)
Date: Mon Feb 21 2022 - 22:43:24 CST

What is the form of the potential that you want to apply? The colvars
module is almost certainly the right tool for what you want. See
https://www.ks.uiuc.edu/Research/namd/2.12/ug/node53.html
Best,
Peter

On Mon, Feb 21, 2022 at 3:09 PM Md Zobayer Hossain <mdzobaye_at_ualberta.ca>
wrote:

> Hi,
> I am simulating a membrane protein complex. I need to put non bonded extra
> potenial between two atoms of a proteins. I have seen the tabulated energy
> table option for implementation. Did anyone use this option before. Also
> is there any other way to put a potential between two atoms.
>
> Best regards
> Zobayer
>

This archive was generated by hypermail 2.1.6 : Tue Dec 13 2022 - 14:32:44 CST