Subject: PCM solvent model

From: Douglas_Stack/CAS/UNO/[email-masked]
Date: Fri, 12 Feb 1999 09:30:45 -0600

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)
[email-masked]