From chemistry-request@ccl.net Thu Oct 16 04:36:58 2003 Received: from violet.noc.ucla.edu (violet.noc.ucla.edu [169.232.47.18]) by server.ccl.net (8.12.8/8.12.8) with ESMTP id h9G8aQdH022154 for ; Thu, 16 Oct 2003 04:36:26 -0400 Received: from orchid.noc.ucla.edu (orchid.noc.ucla.edu [169.232.48.12]) by violet.noc.ucla.edu (8.12.8p2/8.12.8) with ESMTP id h9G8aQ8c029995 for ; Thu, 16 Oct 2003 01:36:26 -0700 Received: from dsievers (23.226.nwc.net [207.151.226.23]) (authenticated bits=0) by orchid.noc.ucla.edu (8.12.9p1/8.12.9) with ESMTP id h9G8aOpD006666 (version=TLSv1/SSLv3 cipher=RC4-MD5 bits=128 verify=NOT) for ; Thu, 16 Oct 2003 01:36:25 -0700 Message-ID: <000701c393c0$3096d0e0$7700a8c0[at]ucla.triangle.org> From: "Doug Sievers" To: "CCL" Subject: gOpenMol Date: Thu, 16 Oct 2003 01:33:31 -0700 MIME-Version: 1.0 Content-Type: text/plain; charset="iso-8859-1" Content-Transfer-Encoding: 7bit X-Priority: 3 X-MSMail-Priority: Normal X-Mailer: Microsoft Outlook Express 6.00.2800.1158 X-MimeOLE: Produced By Microsoft MimeOLE V6.00.2800.1165 X-Probable-Spam: no X-Spam-Hits: 0 X-Scanned-By: vscan.smtp.ucla.edu X-Spam-Status: No, hits=0.0 required=7.0 tests=none version=2.55 X-Spam-Checker-Version: SpamAssassin 2.55 (1.174.2.19-2003-05-19-exp) In the most recent release of gOpenMol (for windows) By default, when one changes from global to local mode, the coordinates of the structure are reset. The user manual says that this default can be changed so that the coordinates do not change, which would be useful to set up several molecules for an MD run. Does anyone know how to change the default behavior? Thank you, Douglas Sievers Graduate Student Researcher Materials Science & Engineering 3049 Engineering 1 (310) 794-6491 dsievers[at]ucla.edu