From chemistry-request@ccl.net Mon May 30 15:00:27 2005 Received: from halifax.ks.uiuc.edu (halifax.ks.uiuc.edu [130.126.120.36]) by server.ccl.net (8.13.1/8.13.1) with ESMTP id j4UJ0M89024327 for ; Mon, 30 May 2005 15:00:22 -0400 Received: from accra.ks.uiuc.edu (IDENT:U2FsdGVkX19rYEpnpG5n8hIHZ1t9Vgiy0vmvQR5DbYY *o* accra.ks.uiuc.edu [130.126.120.220]) by halifax.ks.uiuc.edu (8.12.10/8.12.10) with ESMTP id j4UI5FKx000398 (version=TLSv1/SSLv3 cipher=DHE-RSA-AES256-SHA bits=256 verify=NOT) for ; Mon, 30 May 2005 13:05:15 -0500 (CDT) Date: Mon, 30 May 2005 13:05:15 -0500 (CDT) From: deyulu To: chemistry *o* ccl.net Subject: CCL:potential from part of the system Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII; format=flowed X-Spam-Status: No, score=0.0 required=5.0 tests=none autolearn=failed version=3.0.3 X-Spam-Checker-Version: SpamAssassin 3.0.3 (2005-04-27) on server.ccl.net Dear CCL: I want to obtain the potential field from only part of my system, eg., the electrostatic potentail that a real ion feels from the rest of the system. Does anyone know if there is a quick way to do this from a Gaussian checkpoint file? Thanks Deyu ************************************************************** Deyu Lu Tel: 217-367-7102(h), 217-244-8946(O) Office: 3111, Beckman Institute, UIUC Address: 2118 S. Orchard St., Apt. 203, Urbana, IL, 61801 **************************************************************