From chemistry-request@server.ccl.net Sat May 11 11:33:02 2002 Received: from gil.axelero.hu ([195.228.240.76]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id g4BFX1S32549 for ; Sat, 11 May 2002 11:33:02 -0400 Received: from cthulhu (line-141-50.dial.matav.net [145.236.141.50]) by mail01.axelero.hu (iPlanet Messaging Server 5.1 (built Jan 30 2002)) with SMTP id <0GVY00EUUDTNP8@mail01.axelero.hu> for chemistry@ccl.net; Sat, 11 May 2002 17:32:18 +0200 (MEST) Date: Sat, 11 May 2002 17:33:48 +0200 From: "Tamas E. Gunda" Subject: Chemical drawing programs review To: chemistry@ccl.net Message-id: <000b01c1f901$44317520$0200a8c0@cthulhu> MIME-version: 1.0 X-MIMEOLE: Produced By Microsoft MimeOLE V5.50.4522.1200 X-Mailer: Microsoft Outlook Express 5.50.4522.1200 Content-type: text/plain; charset=iso-8859-1 Content-transfer-encoding: 7BIT X-Priority: 3 X-MSMail-priority: Normal Hello everybody, Those who are interested in chemical drawing programs, my comparative review on 5 applications (ISIS/Draw, ChemDraw, ChemWindow, ChemSketch and Chemistry 4-D Draw) has been updated and is available at: http://dragon.klte.hu/~gundat/rajzprogramok/dprog.html Tamas E. Gunda ----------------- Dr Tamas E. Gunda Research Group for Antibiotics Hungarian Academy of Sciences University of Debrecen, POB 36 H-4010 Debrecen Hungary tamasgunda@tigris.klte.hu From chemistry-request@server.ccl.net Sat May 11 12:23:31 2002 Received: from brass.metals.hope.edu ([198.110.98.36]) by server.ccl.net (8.11.6/8.11.0) with SMTP id g4BGNVS01131 for ; Sat, 11 May 2002 12:23:31 -0400 Received: from hope.edu ([198.110.98.17]) by brass.metals.hope.edu (NAVGW 2.5.1.13) with SMTP id M2002051112222504626 for ; Sat, 11 May 2002 12:22:25 -0400 Received: from mrpink [198.110.99.151] (matthew.zwier@hope.edu) by hope.edu; Sat, 11 May 2002 12:22:42 -0400 X-WM-Posted-At: hope.edu; Sat, 11 May 02 12:22:42 -0400 From: "Matt Zwier" To: CHEMISTRY@ccl.net Date: Sat, 11 May 2002 12:23:30 -0400 MIME-Version: 1.0 Content-type: text/plain; charset=US-ASCII Content-transfer-encoding: 7BIT Subject: Amber force field parameters for bromine Reply-to: matthew.zwier@hope.edu Message-ID: <3CDD0D42.32327.27F4496@localhost> Priority: normal X-mailer: Pegasus Mail for Win32 (v3.12c) Hello all, My group is interested in doing molecular dynamics on a system including a molecue with bromine covalently bound with an aromatic carbon. The only parameters for bromine that seem to be included in the Amber force field are for counter-ions. Does anyone have a reference (journal, web, crayon on a napkin, whatever) for covalent bromine parameters? Thanks, Matt Zwier -- Matthew Zwier (matthew.zwier@hope.edu) Department of Chemistry Undergraduate Researcher Hope College, Holland, MI