AMBER Archive (2008)

Subject: Re: AMBER: trajout input

From: Barbault Florent (florent.barbault_at_paris7.jussieu.fr)
Date: Fri Jun 20 2008 - 04:43:28 CDT

Hello,

MMPBSA will do that easily, but you need three prmtop files:
- complex
- protein alone
- ligand alone
See the MMPBSA manual for the script.

Hope this will help
Regards

On Fri, 20 Jun 2008 17:23:55 +0800 (SGT)
  "Thomas Leonard" <thomasj_at_bii.a-star.edu.sg> wrote:
> I have a trajectory of complex. I would like to separate the
>receptor and
> ligand from this. How to do this.
>
>
>
> Any help will be appreciated
>
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