Hi,
If this is not the appropriate place for this question, please forward
it
to someone who can answer me.
I recently read the 1992 Protein Science paper on Alanyl dipeptide which
incorporated a implicit solvation term into the vacuum AMBER potential,
using Eisenberg's Atomic Solvation Parameters (from the same journal
issue).
I was wondering if the code to compute the surface area and
specifically,
its gradient, has been incorporated into the AMBER program. It used the
method of Richmond, from a 1984 JMB publication, with slight
modification.
If the code is there, would it be possible to find out exactly where (ie
which source file(s) contain this code)? I have contacted Dr. Richmond
as
well but have not received a reply yet..
Thanks
--
------------------------------------------------------------
Howard Feldman
Author of the Search for Freedom Computer Role-Playing Game
Visit its homepage at: http://bioinfo.mshri.on.ca/people/feldman
Received on Tue Oct 23 2001 - 07:55:36 PDT
