From D.A.Tilbrook@mds.qmw.ac.uk Wed Jul 16 10:07:29 1997 Received: from netsrv.lhmc.ac.uk for D.A.Tilbrook@mds.qmw.ac.uk by www.ccl.net (8.8.3/950822.1) id JAA07114; Wed, 16 Jul 1997 09:20:25 -0400 (EDT) Received: from lhmc-fs.mds.qmw.ac.uk (LHMC-FS.lhmc.ac.uk [161.23.16.195]) by netsrv.lhmc.ac.uk (8.6.12/8.6.12) with ESMTP id OAA08848 for ; Wed, 16 Jul 1997 14:21:30 +0100 Received: from LHMC/SMTPMAIL by lhmc-fs.mds.qmw.ac.uk (Mercury 1.21); 16 Jul 97 14:16:39 GMT0BST Received: from SMTPMAIL by LHMC (Mercury 1.21); 16 Jul 97 14:16:37 GMT0BST From: "David A Tilbrook (DMS) 3241" Organization: St. Bart's and the Royal London Med To: chemistry@www.ccl.net Date: Wed, 16 Jul 1997 14:16:37 GMT0BST Subject: London based AMBER Users......??? X-Confirm-Reading-To: "David A Tilbrook (DMS) 3241" X-pmrqc: 1 Priority: normal X-mailer: Pegasus Mail v3.22 Message-ID: <100FF5143D38@lhmc-fs.mds.qmw.ac.uk> Dear List, I am working in conjuction with a colleague at the IRC in Biomedical Materials who has an interest in using molecular modelling to study water adsorption by biomaterials and chemical aspects of drug release and targetting. As a low cost option we are looking at starting our studies using the AMBER force field. I would be very grateful to hear from any users in the London area who are using this package and who have experience with the LEAP interface for structure generation. Perhaps we could start a dialogue which might be mutually beneficial. As we are going to start of by running on high-spec pentiums we will need to compile the source code under Linux. If you have experience of this I would be extremely interested to hear from you.... Look forward to your responses....many thanks in advance David Tilbrook D.A.Tilbrook@mds.qmw.ac.uk********************************************************** David A. Tilbrook Biomaterials in Relation to Dentistry IRC in Biomedical Materials, B.M.S 2.21.2 Queen Mary and Westfield College (East Gate), Mile End Road, London E1 4NS Tel: 0171 2957974 Fax: 0171 2957979 e-mail D.A.Tilbrook@mds.qmw.ac.uk **********************************************************