From bdrc!bdrc.bd.com!Pitner@concert.net  Tue Jan 19 01:48:00 1993
From: Pitner@bdrc.bd.com
Subject: Re: Discontinuities in angle driving
To: <podosnna@acfcluster.nyu.edu>
Date: Tue, 19 Jan 93 09:48:00 PST
Message-Id: <2B5C3EE6@smtpgate>



Andrew:

You might try a look at French, Tran, and Perez
(Chapter 12, p. 191 in Computer Modeling of
Carbohydrate Molecules, ACS Symp. Series #430,
A. French and J. Brady, Eds.1990)
for a discussion of this problem with MM2 as
it relates to disaccharide conformational searches.
They modifed MM2 to search each set of angles
separately rather than continuously, always beginning
from the same starting geometry of each residue.

Bruce Pitner
pitner@bdrc.bd.com