From chemistry-request \\at// ccl.net Mon Jun 23 06:51:52 2003 Received: from typhoeus.chem.york.ac.uk (typhoeus.chem.york.ac.uk [144.32.72.225]) by server.ccl.net (8.12.8/8.12.8) with ESMTP id h5NApp5u013711 for ; Mon, 23 Jun 2003 06:51:52 -0400 Received: from ysbl.york.ac.uk (onion [144.32.72.165]) by typhoeus.chem.york.ac.uk (8.12.8/8.12.8) with ESMTP id h5NAppUD017371 for ; Mon, 23 Jun 2003 11:51:51 +0100 (BST) Sender: chandra_at_typhoeus.chem.york.ac.uk Message-ID: <3EF6DBC7.B051BA52_at_ysbl.york.ac.uk> Date: Mon, 23 Jun 2003 11:51:51 +0100 From: Chandra Verma X-Mailer: Mozilla 4.7C-SGI [en] (X11; I; IRIX 6.5 IP32) X-Accept-Language: en MIME-Version: 1.0 To: Computational Chemistry List Subject: Help Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit Hi I am trying to get a set of charges (Mulliken analysis) on a system that has two Nickel atoms that are coordinated to various residues in a a protein, using GAMESS. I would appreciate any help on the kinds of basis sets that ought to be used.... thanks chandra