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.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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Received on Sun Jun 22 2008 - 06:07:49 PDT
