From owner-bionews@hgmp.mrc.ac.uk Wed Sep 20 01:27:29 2000 Return-Path: Received: by mercury.hgmp.mrc.ac.uk (Postfix, from userid 110) id DC1D217B56; Wed, 20 Sep 2000 01:27:26 +0100 (BST) Received: by mercury.hgmp.mrc.ac.uk (Postfix, from userid 6022) id 5784D17B53; Wed, 20 Sep 2000 01:27:24 +0100 (BST) Received: by mercury.hgmp.mrc.ac.uk (Postfix, from userid 6024) id 75D2C17B1F; Tue, 19 Sep 2000 16:49:46 +0100 (BST) Received: from chi6-1.relay.mail.uu.net (chi6-1.relay.mail.uu.net [199.171.54.98]) by mercury.hgmp.mrc.ac.uk (Postfix) with ESMTP id F2E51415CF for ; Tue, 19 Sep 2000 16:49:44 +0100 (BST) Received: from vixen.cso.uiuc.edu by chi6sosrv11.alter.net with ESMTP (peer crosschecked as: vixen.cso.uiuc.edu [128.174.5.49]) id QQjhil06897 for ; Tue, 19 Sep 2000 15:49:43 GMT Received: by vixen.cso.uiuc.edu (8.9.3+Sun/8.9.3) id KAA18371; Tue, 19 Sep 2000 10:48:56 -0500 (CDT) To: bionet-announce@moderators.isc.org Message-ID: <39C78B15.537D8617@ks.uiuc.edu> From: Jim Phillips X-Mailer: Mozilla 4.74 [en] (X11; U; SunOS 5.7 sun4u) X-Accept-Language: en MIME-Version: 1.0 Newsgroups: bionet.announce Subject: NAMD 2.2b2 Release Announcement Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit X-Complaints-To: abuse@uiuc.edu X-Trace: vixen.cso.uiuc.edu 969378535 130.126.120.129 (Tue, 19 Sep 2000 10:48:55 CDT) NNTP-Posting-Date: Tue, 19 Sep 2000 10:48:55 CDT Organization: University of Illinois at Urbana-Champaign Date: Wed, 20 Sep 2000 01:27:24 +0100 (BST) Sender: owner-bionews@hgmp.mrc.ac.uk Precedence: bulk +--------------------------------------------------------------------+ | | | NAMD 2.2b2 Release Announcement | | | +--------------------------------------------------------------------+ September 15, 2000 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 2.2b2 has several advantages over NAMD 2.1: - New ports to the IBM RS/6000 SP and Windows NT. - Parallelized particle mesh Ewald FFT and reciprocal space sum with demonstrated scaling to 128 processors for large systems. - Release binaries contain FFTW (under special license) for better serial performance when using particle mesh Ewald. - Much faster minimizer based on conjugate gradient method, also more stable when dealing with very bad initial contacts. - Improved load balancer with demonstrated scaling to over 1024 processors for large cutoff systems. This is a beta release! Please be on the lookout for bugs, memory leaks, and instabilities of all kinds and report them immediately. NAMD is available from http://www.ks.uiuc.edu/Research/namd/. 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! .