Re: [AMBER] SMD calculation

From: Jason Swails <jason.swails.gmail.com>
Date: Fri, 31 May 2013 10:24:57 -0400

On Fri, May 31, 2013 at 6:00 AM, Santi Tolosa <santitolosa56.gmail.com>wrote:

> It is possible to perform a calculation SMD AMBER program?. More
> specifically, studying the PMF of proton transfer in aqueous solution.
>

Yes. There is actually a tutorial that covers it.
http://ambermd.org/tutorials


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-- 
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Fri May 31 2013 - 07:30:03 PDT
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