From owner-chemistry@ccl.net Tue Sep 3 15:30:48 1996 Received: from bedrock.ccl.net for owner-chemistry@ccl.net by www.ccl.net (8.7.5/950822.1) id OAA18744; Tue, 3 Sep 1996 14:09:17 -0400 (EDT) Received: from theory.tc.cornell.edu for jeanne@tc.cornell.edu by bedrock.ccl.net (8.7.5/950822.1) id OAA24949; Tue, 3 Sep 1996 14:09:15 -0400 (EDT) Received: from [128.84.181.75] (JEANNE.TC.CORNELL.EDU [128.84.181.75]) by theory.tc.cornell.edu (8.6.9/8.6.6) with SMTP id NAA53576; Tue, 3 Sep 1996 13:59:21 -0400 Message-Id: Mime-Version: 1.0 Content-Type: text/plain; charset="us-ascii" Date: Tue, 3 Sep 1996 14:14:37 -0500 To: jeanne@TC.Cornell.EDU From: jeanne@TC.Cornell.EDU (Jeanne C. Butler) Subject: REMINDER - Biochemistry Applications Software Workshop Cc: marcia@TC.Cornell.EDU * * * * * * * * * * * * * * * * * * * * * SPACE STILL AVAILABLE * * * * * * * * * * * * * * * * * * * * * Biochemistry Applications Software Workshop October 20 - 22, 1996 Cornell Theory Center Cornell University Ithaca, NY Registration deadline: September 6, 1996 The Cornell Theory Center (CTC), a nationally funded high-performance computing and communications center, is offering three days of lecture and laboratory sessions on some popular computational chemistry packages. A mix of software for electronic structure calculations and software for molecular dynamics modeling will be presented by the developers. There will be time for hands-on work with each code using the CTC's 512-processor IBM SP. This workshop will emphasize choosing the right software package for your application problem and using it effectively. Participants are expected to have some background theoretical knowledge of molecular mechanics, ab initio molecular orbital theory, and semi-empirical methods; prior experience with UNIX is highly desirable. The speakers --------------- Doug Fox, Gaussian, Inc.: Gaussian 94 Mark Gordon, Iowa State University: GAMESS Byron Lengsfield, IBM Almaden Research Center: Mulliken Rich Friesner, Columbia University & Schroedinger, Inc.: PS-GVB Akbar Nayeem, Tripos, Inc.: SYBYL Frank Axe, Molecular Simulations, Inc.: DMol, QuanteMM Who should attend ---------------------- This workshop is appropriate for faculty, postdocs, and graduate students interested in molecular modeling and electronic structure calculations. Professionals in the pharmaceutical, biomedical, and chemical industries may wish to attend. Although several of the codes run in parallel on the SP, no prior knowledge of parallel processing is required for this workshop. The facilities --------------- One half-day session will be devoted to each software package. Each talk will be followed by a hands-on session in CTC's training facility, giving all participants a chance to work with the software with help from the developer and CTC staff. The training facility is equipped with 44 IBM RS/6000 workstations and 12 SGI Indys. Further information ----------------------- For the latest detailed information on the agenda, the speakers, their software packages, and registration forms, see http://www.tc.cornell.edu/Edu/Upcoming/biochem.html. For additional information, please contact: Jeanne Butler jeanne@tc.cornell.edu