From chemistry-request@www.ccl.net  Fri Feb 12 10:33:52 1999
Received: from unomail.unomaha.edu (unomail.unomaha.edu [137.48.1.6])
        by www.ccl.net (8.8.3/8.8.6/OSC/CCL 1.0) with SMTP id KAA22916
        Fri, 12 Feb 1999 10:33:51 -0500 (EST)
From: Douglas_Stack/CAS/UNO/UNEBR@unomail.unomaha.edu
Received: by unomail.unomaha.edu(Lotus SMTP MTA v4.6.3  (733.2 10-16-1998))  id 86256716.00553A4F ; Fri, 12 Feb 1999 09:30:54 -0600
X-Lotus-FromDomain: UNIVERSITY OF NEBRASKA
To: CHEMISTRY@www.ccl.net
Message-ID: <86256716.00553781.00@unomail.unomaha.edu>
Date: Fri, 12 Feb 1999 09:30:45 -0600
Subject: PCM solvent model
Mime-Version: 1.0
Content-type: text/plain; charset=us-ascii
Content-Disposition: inline



In the G94 manual, it states that the required input for a SCRF=PCM calculation
is 1) dielectric constant of the solvent and 2) the number of points per sphere.
What is an acceptable value for the number of points per sphere.  Does a larger
number increase comp. time and add better "resolution"?  I'll summarize this
thread.

Thanks in advance.

Douglas E. Stack
Assistant Professor
Department of Chemistry
University of Nebraska at Omaha
Omaha, NE 68182-0109
(402) 554-3647
(402) 544-3647 (fax)
Douglas_Stack@unomaha.edu




