Re: [AMBER] Tools for calculation of interaction energy

From: Nhai <nhai.qn.gmail.com>
Date: Fri, 25 Nov 2016 15:57:48 -0500

You might want to check "lie" command in cpptraj

http://archive.ambermd.org/201505/0384.html

Disclaimer: i don't have any experience with this stuff. So please check amber16 manual.

Hai

> On Nov 25, 2016, at 12:41 PM, Andrew Bostick <andrew.bostick1.gmail.com> wrote:
>
> Dear Amber users,
>
> I did MD simulation of some protein-ligand complexes.
>
> I want to have interaction energy between protein and ligand.
>
> In Gromacs, there is a tool, g_energy. Is there such a tool in Amber?
>
> Best,
> Andrew
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Fri Nov 25 2016 - 13:00:02 PST
Custom Search