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
---------------------------------------------
Samantha Hughes
Dept. of Chemistry
Imperial College of Science, Technology and Medicine
London
SW7 2AY
----------------------------------------------------
Received on Thu Mar 08 2001 - 02:48:20 PST
