AMBER Archive (2001)

Subject: Re: calc free energy during dynamics

From: samantha hughes (s.j.hughes_at_ic.ac.uk)
Date: Thu Mar 08 2001 - 04:48:20 CST

Hi Eoin,

Use the MM/PBSA method described in the AMBER manual and also in
several publications by Peter Kollman.

Eoin Galligan wrote:
>
> Hi
> I am interested in determing the free energy of my system during
> dynamics within sander - could anyone point me in the right direction?
>

Samantha

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Samantha Hughes
Dept. of Chemistry
Imperial College of Science, Technology and Medicine
London
SW7 2AY
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