From chemistry-request;at;ccl.net Thu Jul  9 18:01:04 1992
Date: Thu, 9 Jul 1992 11:32 EST
From: J_WILSON-!at!-CC.BRYNMAWR.EDU
Subject: Molecular Dynamics
To: chemistry: at :ccl.net
Status: R


Some in our group are beginning molecular dynamics studies on
small organic compounds in solution. By small I mean less than
about 60 heavy atoms. There is much in the literature on protein
and other large biomolecular simulations, but we have come across
very little so far dealing with smaller ring systems.

Can some of you point us in the right direction with references,
hints, etc. concerning any calculations done exploring dynamical
behavior of compounds of this type in any solvent? It would be most
appreciated. Please respond directly to me and I will summarize
if needed.

   thanks in advance,
       J. Bundens
    Bryn Mawr College
 troi%!at!%galileo.brynmawr.edu