From chemistry-request@www.ccl.net Fri Dec 4 13:28:45 1998 Received: from karplus0.harvard.edu (tammy.harvard.edu [128.103.92.198]) by www.ccl.net (8.8.3/8.8.6/OSC/CCL 1.0) with ESMTP id NAA18016 Fri, 4 Dec 1998 13:28:45 -0500 (EST) Received: from topanga.harvard.edu (topanga [128.103.92.179]) by karplus0.harvard.edu (8.8.2/8.8.2) with ESMTP id NAA11695 for ; Fri, 4 Dec 1998 13:40:35 -0500 (EST) Received: from localhost (qiang@localhost) by topanga.harvard.edu (8.8.2/8.8.2) with SMTP id NAA29002 for ; Fri, 4 Dec 1998 13:25:00 -0500 (EST) Date: Fri, 4 Dec 1998 13:24:59 -0500 (EST) From: Qiang Cui To: CHEMISTRY@www.ccl.net Subject: Memory allocation inconsistency in CalDFT. Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Hi, folks. I've been trying to do freq calculation for this compound with G94, and the calculations always ended up with the following msg: IPart= 2 MaxPt= 524 but MaxPtI= 526. Memory allocation inconsistency in CalDFT. Any idea how to fix this up? Thanks a lot! ___________________________________________________________________________ Qiang Cui Dept. of Chem. _ __..-;''`--/'/ /.',-`-. Harvard Univ. (`/' ` | \ \ \\ / / / / .-'/`,_ 12 Oxford St., /'`\ \ | \ | \| // // / -.,/_,'-, Cambridge, MA 02138 /<7' ; \ \ | ; ||/ /| | \/ |`-/,/-.,_,/') (617)-495-8997 / _.-, `,-\,__| _-| / \ \/|_/ | '-/.;.\' (617)-495-1775 `-` f/ ; / __/ \__ `/ |__/ | Fax: (617)-496-3204 `-' | -| =|\_ \ |-' | http://yuri.harvard.edu/~qiang __/ /_..-' ` ),' // ((__.-'((___..-'' \__.' 805 Mt. Auburn Street Apt. 35 Watertown, MA 02472 (617)-926-6027 __________________________________________________________________________ From chemistry-request@www.ccl.net Fri Dec 4 15:13:18 1998 Received: from mail.gmd.de (mail.gmd.de [129.26.8.90]) by www.ccl.net (8.8.3/8.8.6/OSC/CCL 1.0) with ESMTP id PAA19129 Fri, 4 Dec 1998 15:13:17 -0500 (EST) Received: from cartan (cartan.gmd.de [129.26.8.171]) by mail.gmd.de (8.8.8/8.8.8) with SMTP id VAA25946 for ; Fri, 4 Dec 1998 21:13:00 +0100 (MET) Received: from gmd.de (boyer) by cartan with SMTP id AA17042 (5.67b/IDA-1.5 for ); Fri, 4 Dec 1998 21:13:00 +0100 Sender: hoffmann@gmd.de Message-Id: <3668424C.1273D4A2@gmd.de> Date: Fri, 04 Dec 1998 21:13:00 +0100 From: Daniel Hoffmann X-Mailer: Mozilla 4.5 [en] (X11; I; SunOS 5.6 sun4u) X-Accept-Language: en Mime-Version: 1.0 To: chemistry@www.ccl.net Subject: ISMB'99, first call for tutorials Content-Type: text/plain; charset=iso-8859-1 Content-Transfer-Encoding: 8bit FIRST CALL FOR TUTORIALS The Seventh International Conference on Intelligent Systems for Molecular Biology (ISMB '99) August 6 - August 10, 1999 Heidelberg, Germany http://ismb99.gmd.de Sponsored by the International Society for Computational Biology (in cooperation with the American Association for Artificial Intelligence, the German Informatics Society, and DECHEMA) ATTEND ONE OF THE PREMIER INTERNATIONAL MEETINGS IN BIOINFORMATICS AND ENJOY THE RARE SIGHT OF A TOTAL SOLAR ECLIPSE Because of the interdisciplinary nature of the community, the educational tutorial program at ISMB has developed into an important component of the conference. As in previous years, the first day of the conference (Aug 6, 1999) will be devoted to tutorials. ISMB'99 tutorials will involve either half-day (3-4 hours) or full-day (6-7) hours of instruction, and will require the advance preparation of high quality, peer reviewed materials for the students. We are soliciting proposals for introductory or advanced tutorials appropriate to this diverse conference community. Below is a sample of some previous tutorial topics: - Introduction to Intelligent Systems for Biologists - Introduction to Biology for Computer Scientists - Protein Structure Prediction - Protein Evolution - Statistical Foundations for Multiple Sequence Alignment - Computational Methods for Molecular Docking These are indicative of the type and scope of the proposals that we are soliciting this year. We are also interested in proposals involving recent advances in the field that have not previously been covered by ISMB tutorials. All tutorial instructors will receive an honorarium and have conference fees waived. In cases where there are multiple instructors, the honorarium will be shared among them. The organizers reserve the right to cancel tutorials which do not have a reasonable attendance. In such cases, advance warning will be given a partial honorarium may be paid to the instructor(s) depending on the amount of advanced work carried out for the tutorial. Key Dates: Abstracts due: January 10, 1999 Full proposals due: February 5, 1999 Reply to proposals: March 26, 1999 Draft handouts due: April 25, 1999 Final handouts due: June 20, 1999 If you are interested in proposing a tutorial, please send a short (approximately one page) indication of your interest, describing the context of the tutorial, its importance to the ISMB audience and your qualifications to teach it. These are due no later than January 10, 1999 and should be sent via email to: Hans-Werner Mewes ISMB999 Tutorial Coordinator mewes@mips.embnet.org Note that in the past we have received more applications for tutorials than slots, so please make a clear case for the appropriateness of your proposed tutorial.