AMBER Archive (2008)

Subject: Re: AMBER: trajout input

From: Thomas Leonard (thomasj_at_bii.a-star.edu.sg)
Date: Fri Jun 20 2008 - 05:05:55 CDT

Hi,
Thank you,
Will the same prmtop can be used for the PCA analysis?
if so,
 how can it be?

Thomas

> 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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