From mercie@med.cornell.edu  Sun Sep 26 14:09:30 1993
Date: Sun, 26 Sep 1993 18:09:30 -0400 (EDT)
From: Gustavo Mercier <mercie@med.cornell.edu>
Subject: Brownian Dynamics
To: chemistry@ccl.net
Message-Id: <Pine.3.05.9309261830.A8328-a100000@med.cornell.edu>



Hi, netters!

Does anybody know if the latest version of AMBER can perform
Brownian Dynamic Simulations? Also, any good reference on the 
subject of constructing parameters for such simulations? The
system of interest is a cationic metalloporphyrin in water. The goal
is to explore the approach of water molecules to the metalloporphyrin
with little concern to detail interactions, such as hydrogen bonding
etc..

Also, I understand that with XPLOR you can perform Simulated Annealing
runs, but what is the potential/parameters used with this program?
A reference would be helpful.

thanks.
gus mercier
mercie@cumc.cornell.edu