From chemistry-request $#at#$ server.ccl.net Tue Mar 26 18:05:51 2002 Received: from polaris.scs.uiuc.edu ([130.126.225.41]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id g2QN5pp17542 for ; Tue, 26 Mar 2002 18:05:51 -0500 Received: from leonidas (leonidas.scs.uiuc.edu [130.126.226.239]) by polaris.scs.uiuc.edu (8.11.1/8.11.1) with SMTP id g2QN5jA255219 for ; Tue, 26 Mar 2002 17:05:45 -0600 (CST) Reply-To: From: "Jerome Baudry" To: Subject: charmm parameters for Fe3+ heme? Date: Tue, 26 Mar 2002 17:08:01 -0600 Message-ID: <001801c1d51b$14b67660$efe27e82 -A_T- leonidas> MIME-Version: 1.0 Content-Type: text/plain; charset="iso-8859-1" Content-Transfer-Encoding: 7bit X-Priority: 3 (Normal) X-MSMail-Priority: Normal X-Mailer: Microsoft Outlook CWS, Build 9.0.2416 (9.0.2911.0) X-MimeOLE: Produced By Microsoft MimeOLE V5.50.4522.1200 Importance: Normal Dear All Can anybody point me to parameters for Ferric (Fe3+) heme for use with CHARMM? Thanks a lot, Jerome ---------------------------------------------------------- Jerome Baudry, Ph.D. Computational Research Scientist, Research Coordinator 150 Noyes Lab. Computer Applications & Network Services School of Chemical Sciences University of Illinois at Urbana-Champaign 505 S. Mathews Ave.; Box 2.1; Urbana, IL, 61801 Phone: (1) (217) 244 3210; Fax: (1) (217) 333 3210; E-mail: jerome-: at :-scs.uiuc.edu