From chemistry-request:~at~: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.,at,.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 ^at^ 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: at :hope.edu Message-ID: <3CDD0D42.32327.27F4496 %-% at %-% 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 -A_T- hope.edu) Department of Chemistry Undergraduate Researcher Hope College, Holland, MI