Re: [AMBER] Decomposing the free energy contributions to the binding free energy

From: Jason Swails <jason.swails.gmail.com>
Date: Tue, 28 Aug 2012 10:05:19 -0400

On Tue, Aug 28, 2012 at 6:12 AM, Deák Robert <kokumetto.gmail.com> wrote:

> Dear Denis,
>
> The second question still remaines. How can run energy decomposition in
> amber12?
> What are the changes relative to amber11?
>

Amber 11 and Amber 12 should have the same mechanism for running Free
Energy Decomposition.

HTH,
Jason 

-- 
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Tue Aug 28 2012 - 07:30:03 PDT
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