Re: AMBER: Hydration points

From: Carlos Simmerling <carlos.simmerling.gmail.com>
Date: Tue, 29 May 2007 17:34:54 -0400

you can use the ptraj grid command.
page 252 of the amber9 manual.
also web search for ptraj water grid.


On 5/29/07, Cenk Andac <cenk_andac.yahoo.com> wrote:
>
> Dear Amber community,
>
> I was wondering if it is possible to determine hydration points in a TIP3
> water solvated binding site over an MD trajectory? If so how?
>
> best regards,
>
> jenk
>
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-- 
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Carlos L. Simmerling, Ph.D.
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Stony Brook University              E-mail: carlos.simmerling.gmail.com
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Received on Wed May 30 2007 - 06:07:31 PDT
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