From chemistry-request@server.ccl.net Thu Oct 18 07:15:30 2001 Received: from web12901.mail.yahoo.com ([216.136.174.68]) by server.ccl.net (8.11.6/8.11.0) with SMTP id f9IBFUB11125 for ; Thu, 18 Oct 2001 07:15:30 -0400 Message-ID: <20011018111530.50484.qmail@web12901.mail.yahoo.com> Received: from [144.32.180.37] by web12901.mail.yahoo.com via HTTP; Thu, 18 Oct 2001 12:15:30 BST Date: Thu, 18 Oct 2001 12:15:30 +0100 (BST) From: =?iso-8859-1?q?Meike=20Reinhold?= Subject: Merz Kollman charges calculated with G98 To: ccl MIME-Version: 1.0 Content-Type: text/plain; charset=iso-8859-1 Content-Transfer-Encoding: 8bit Dear CCler's I hope you don't mind me asking this question. I have calculated the MK charges ona trnaistion metal system and am looking for ways to visulise them and in th eend produce pretty pictures. The programs I have available in the moment are Molden, molekel and gOpenmol and only gOpenmol seems to be able to do so. However, I did not get the latter to work. If somebody out there has any good tips I would be most grateful to hear of them. Meike Reinhold P.S. My problem with gOpenmol which is only installed on my PC (Windows NT4.0) is that after I have inported the formated checkpoint file (created with Formcheck=all) and the imported the in the charges from the log file nothing seems to change. So maybe I am missing something here? ===== Meike Reinhold Chemistry Department University of York UK ____________________________________________________________ Nokia Game is on again. Go to http://uk.yahoo.com/nokiagame/ and join the new all media adventure before November 3rd.