Q: SYBYL & Solvaetd Dynamics

From: Steven Schafer <steve-: at :-carbo.chem.binghamton.edu>
Subject: Q: SYBYL & Solvaetd Dynamics
Date: Mon, 13 Feb 1995 14:19:43 -0500 (EST)

 	Do any of you Sybyl users know if there is a way that you can
 minimize the disk space required for a solvated dynamics run by storing
 only the data for the solvated molecule?  I am interested only in the
 conformational changes in the solvated molecule and do not care about the
 included water molecules.  Also I dump the coordinate file to calculate
 the optical rotation of the solvated molecule, and the waters make it
 very slow to read threw the dumped file.
 	Thanks in advance,
 	Steven E. Schafer
 	S.U.N.Y. Binghamton Chemistry Department
 	http://chemiris.chem.binghamton.edu:8080
         Binghamton, New York  USA