Re: calc free energy during dynamics

From: samantha hughes <>
Date: Thu 08 Mar 2001 10:48:20 +0000

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 Hughes
Dept. of Chemistry
Imperial College of Science, Technology and Medicine
Received on Thu Mar 08 2001 - 02:48:20 PST
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