From DSMITH@uoft02.utoledo.edu  Fri Jul 15 14:03:18 1994
Received: from uoft02.utoledo.edu  for DSMITH@uoft02.utoledo.edu
	by www.ccl.net (8.6.9/930601.1506) id NAA18070; Fri, 15 Jul 1994 13:13:10 -0400
Received: from UOFT02.UTOLEDO.EDU by UOFT02.UTOLEDO.EDU (PMDF V4.3-7 #5345)
 id <01HEQIIVL2XC002L9N@UOFT02.UTOLEDO.EDU>; Fri, 15 Jul 1994 13:13:53 EST
Date: Fri, 15 Jul 1994 13:13:53 -0500 (EST)
From: "DR. DOUGLAS A. SMITH, UNIVERSITY OF TOLEDO" <DSMITH@uoft02.utoledo.edu>
Subject: G92 calculation of electric field around a molecule
To: chemistry@ccl.net
Message-id: <01HEQIIVLVUQ002L9N@UOFT02.UTOLEDO.EDU>
X-Envelope-to: chemistry@ccl.net
X-VMS-To: CHEMISTRY
MIME-version: 1.0
Content-type: TEXT/PLAIN; CHARSET=US-ASCII
Content-transfer-encoding: 7BIT


Dear G92 users:

	In J. Phys. Chem. 1990, 94, 4453-5, Oh, et al. describe using 
Gaussian 86 to calculate the short range field around a molecule using a set
of distributed multipole moments. Is this the old GRID keyword in Gaussian
which has been replaced by CUBE=POTENTIAL?

	If one calculates a field in this manner, is there a trivial way
to convert from the field to a set of electric field vectors along X,Y, and
Z such that the effect on a molecule in the field can be simulated by using
the FIELD=MN keyword option?

	Please respond directly and I will summarize.

Doug

Douglas A. Smith			voice:  (419)537-2116
Associate Professor			fax:    (419)537-4033
Department of Chemistry			email:  dsmith@uoft02.utoledo.edu
 and 
Center for Drug Design and Development
 and
Chairman-elect
 ACS Division of Computers in Chemistry

The University of Toledo
Toledo, OH  43606-3390