From chemistry-request@ccl.net Mon Oct 13 14:29:11 2003 Received: from GWIA.HSC.WVU.EDU (gateway.hsc.wvu.edu [157.182.105.18]) by server.ccl.net (8.12.8/8.12.8) with ESMTP id h9DISedH001841 for ; Mon, 13 Oct 2003 14:28:40 -0400 Received: from HSC-DOM5-MTA by GWIA.HSC.WVU.EDU with Novell_GroupWise; Mon, 13 Oct 2003 14:28:53 -0400 Message-Id: X-Mailer: Novell GroupWise Internet Agent 6.0.3 Date: Mon, 13 Oct 2003 14:28:30 -0400 From: "Peter Gannett" To: Subject: Dials and windows - backbone.out file Mime-Version: 1.0 Content-Type: text/plain; charset=US-ASCII Content-Disposition: inline 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) Content-Transfer-Encoding: 8bit X-MIME-Autoconverted: from quoted-printable to 8bit by server.ccl.net id h9DITBdH001849 All: I'm using Dials and Windows and am trying to understand what is in the backbone.out file. This file lists backbone angles for two configurations. What do the configurations refer to? Thanks. Pete Gannett From chemistry-request@ccl.net Mon Oct 13 04:05:44 2003 Received: from mailserver.unimi.it (mailserver.unimi.it [159.149.10.5]) by server.ccl.net (8.12.8/8.12.8) with ESMTP id h9D85CdH011001 for ; Mon, 13 Oct 2003 04:05:13 -0400 Received: from smtp.unimi.it (smtp.unimi.it [159.149.10.3]) by mailserver.unimi.it (iPlanet Messaging Server 5.2 Patch 1 (built Aug 19 2002)) with ESMTP id <0HMO00DSIRSOSZ!at!mailserver.unimi.it> for chemistry!at!ccl.net; Mon, 13 Oct 2003 10:05:12 +0200 (MEST) Received: from villa (villa.farma.unimi.it [159.149.79.66]) by smtp.unimi.it (iPlanet Messaging Server 5.1 (built May 7 2001)) with SMTP id <0HMO001KNRSLPD!at!smtp.unimi.it> for chemistry!at!ccl.net; Mon, 13 Oct 2003 10:05:10 +0200 (MEST) Date: Mon, 13 Oct 2003 10:05:54 +0200 From: Giulio Vistoli Subject: Re: CCL:charmm topology file residue entry To: Oliver Hucke , chemistry!at!ccl.net Message-id: <006b01c39160$d4377cc0$424f959f@villa> MIME-version: 1.0 X-MIMEOLE: Produced By Microsoft MimeOLE V6.00.2800.1165 X-Mailer: Microsoft Outlook Express 6.00.2800.1158 Content-type: text/plain; charset=iso-8859-1 Content-transfer-encoding: 7BIT X-Priority: 3 X-MSMail-priority: Normal References: <3F86D9B2.5020805!at!u.washington.edu> X-Spam-Status: No, hits=-0.5 required=7.0 tests=REFERENCES version=2.55 X-Spam-Checker-Version: SpamAssassin 2.55 (1.174.2.19-2003-05-19-exp) Our VEGA (http://www.ddl.unimi.it) program is able to create the topology file in .psf format starting from a pdb file and the obtained files work fine with the software that use this topology format (charmm, narmd and so on) Best Regards Giulio Vistoli