From steve |-at-| carbo.chem.binghamton.edu  Mon Feb 13 14:39:43 1995
Received: from carbo.chem.binghamton.edu  for steve # - at - # carbo.chem.binghamton.edu
	by www.ccl.net (8.6.9/930601.1506) id OAA01771; Mon, 13 Feb 1995 14:31:06 -0500
Received: by carbo.chem.binghamton.edu (931110.SGI/931108.SGI.ANONFTP)
	for chemistry {*at*} ccl.net id AA04549; Mon, 13 Feb 95 14:29:30 -0500
Date: Mon, 13 Feb 1995 14:19:43 -0500 (EST)
From: Steven Schafer <steve {*at*} carbo.chem.binghamton.edu>
Subject: Q: SYBYL & Solvaetd Dynamics
To: chemistry;at;ccl.net
Cc: sybyl-!at!-extreme.chem.rpi.edu
Message-Id: <Pine.3.85.9502131443.A4495-0100000- at -carbo.chem.binghamton.edu>
Mime-Version: 1.0
Content-Type: TEXT/PLAIN; charset=US-ASCII



	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