These are found in the sander source code (mdread.f).
On Tue, May 10, 2011 at 4:10 PM, Osvaldo Martin <aloctavodia.gmail.com>wrote:
> Hello everybody,
>
> I am trying to implement a routine (I need it to use it outside the Amber
> package) to estimate the solvatation energy of proteins using the Solvent
> Accesible Surface Area approach. i.e
>
> G_solv ~= sum (surface area per atom type * surface parameter per atom
> type)
>
> I am using the Amber99 forcefield, I trying downloading a parameter file
> from the Amber web page but I could not found the surface parameters per
> atom type inside. BTW, I also found this paper "Approximate Atomic Surfaces
> from Linear Combinations of Pairwise Overlaps" this paper have parameters
> to
> calculate the surface area, but i need the parameters to "translate" the
> surface area into energy.
>
> thanks in advance.
>
> Osvaldo Martin
>
> <http://www.sanluis-conicet.gob.ar/imasl/>
> _______________________________________________
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> http://lists.ambermd.org/mailman/listinfo/amber
>
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Tue May 10 2011 - 08:00:02 PDT
