From owner-comp-bio@hgmp.mrc.ac.uk Sat Feb 23 01:37:58 2002 Return-Path: Received: from localhost (localhost [127.0.0.1]) by mercury.hgmp.mrc.ac.uk (Postfix) with ESMTP id CB18617AFF for ; Sat, 23 Feb 2002 01:37:55 +0000 (GMT) Received: from localhost (localhost [127.0.0.1]) by mercury.hgmp.mrc.ac.uk (Postfix) with ESMTP id 4885A17B03 for ; Sat, 23 Feb 2002 01:37:52 +0000 (GMT) Received: by mercury.hgmp.mrc.ac.uk (Postfix, from userid 6023) id AEAA517B01; Sat, 23 Feb 2002 01:37:50 +0000 (GMT) Received: from localhost (localhost [127.0.0.1]) by mercury.hgmp.mrc.ac.uk (Postfix) with ESMTP id 7F4EA17AB3 for ; Fri, 22 Feb 2002 20:38:13 +0000 (GMT) Received: from chx400.switch.ch (chx400.switch.ch [130.59.10.2]) by mercury.hgmp.mrc.ac.uk (Postfix) with ESMTP id 8D94D17A95 for ; Fri, 22 Feb 2002 20:38:12 +0000 (GMT) Received: from vixen.cso.uiuc.edu ([128.174.5.49]) by chx400.switch.ch with esmtp (Exim 3.20 #1) id 16eMSJ-0002TR-00 for bionet-biology-computational@moderators.isc.org; Fri, 22 Feb 2002 21:38:11 +0100 Received: by vixen.cso.uiuc.edu (8.9.3+Sun/8.9.3) id OAA24256; Fri, 22 Feb 2002 14:35:57 -0600 (CST) To: bionet-biology-computational@moderators.isc.org Message-ID: <3C76AC31.CB3E2E9C@ks.uiuc.edu> From: Jim Phillips X-Mailer: Mozilla 4.74 [en] (X11; U; SunOS 5.8 sun4u) X-Accept-Language: en MIME-Version: 1.0 Newsgroups: bionet.biology.computational,bionet.molec-model,bionet.software,bionet.software.x-plor Subject: NAMD 2.4b2 (Parallel MD) Release Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit X-Complaints-To: abuse@uiuc.edu X-Trace: vixen.cso.uiuc.edu 1014410157 130.126.120.129 (Fri, 22 Feb 2002 14:35:57 CST) NNTP-Posting-Date: Fri, 22 Feb 2002 14:35:57 CST Organization: University of Illinois at Urbana-Champaign Date: Sat, 23 Feb 2002 01:37:50 +0000 (GMT) Sender: owner-comp-bio@hgmp.mrc.ac.uk Precedence: bulk Hi, NAMD is a molecular dynamics program, file compatible with X-PLOR, CHARMM, and AMBER, scalable to hundreds of processors, and available as source code or binaries for a variety of platforms, free of charge. Try it out! -Jim +--------------------------------------------------------------------+ | | | NAMD 2.4b2 Release Announcement | | | +--------------------------------------------------------------------+ February 22, 2002 The Theoretical Biophysics Group at the University of Illinois is proud to announce the public release of a new version of NAMD, a parallel, object-oriented molecular dynamics code designed for high-performance simulation of large biomolecular systems. NAMD is distributed free of charge and includes source code. NAMD development is supported by the NIH National Center for Research Resources. NAMD 2.4b2 has several advantages over NAMD 2.3: - Greatly improved parallel scaling with particle mesh Ewald. - Locally enhanced sampling via multiple non-interacting images. - Alchemical free energy perturbation for mutation, ligands, etc. - GROMACS ASCII topology and coordinate input file compatibility. NAMD is available from http://www.ks.uiuc.edu/Research/namd/. "Biomedical Applications of Molecular Dynamics on the TeraGrid", a three-day NAMD users workshop co-sponsored by NCSA, will be held April 17-19 in Urbana, Ilinois and broadcast on the Access Grid. See http://www.ncsa.uiuc.edu/Divisions/eot/training/NAMD/ for more information. The deadline for registration is March 7, 2002. For your convenience, NAMD has been ported to and will be installed on the machines at the NSF-sponsored national supercomputing centers. If you are planning substantial simulation work of an academic nature you should apply for these resources. Benchmarks for your proposal are available at http://www.ks.uiuc.edu/Research/namd/performance.html The Theoretical Biophysics Group encourages NAMD users to be closely involved in the development process through reporting bugs, contributing fixes, periodical surveys and via other means. Questions or comments may be directed to namd@ks.uiuc.edu. We are eager to hear from you, and thank you for using our software! .