Subject: Q: SYBYL & Solvaetd Dynamics

From: Steven Schafer <[email-masked]>
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