From chemistry-request@www.ccl.net Mon Aug 17 08:03:25 1998 Received: from quim.iq.usp.br (quim.iq.usp.br [143.107.46.101]) by www.ccl.net (8.8.3/8.8.6/OSC/CCL 1.0) with SMTP id IAA14282 Mon, 17 Aug 1998 08:03:22 -0400 (EDT) Received: (sjardino@localhost) by quim.iq.usp.br (8.6.10/SPARC10-IQ2.0) id IAA02121; Mon, 17 Aug 1998 08:53:54 -0300 Date: Mon, 17 Aug 1998 08:53:54 -0300 (EST) From: Sergio Augusto Jardino Filho To: chemistry@www.ccl.net Subject: Stability calculation Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Dear CCL, I have a basic question: How can I compare the stability of two molecules with different number of atoms using the energy result of a CBS calculation or another kind of single point calculation? Thanks is advance Sergio A. Jardino Filho Univesidade de Sao Paulo Brazil From chemistry-request@www.ccl.net Mon Aug 17 10:30:16 1998 Received: from spsrv.scf.fundp.ac.be (spsrv.scf.fundp.ac.be [138.48.16.203]) by www.ccl.net (8.8.3/8.8.6/OSC/CCL 1.0) with ESMTP id KAA17393 Mon, 17 Aug 1998 10:30:14 -0400 (EDT) Received: from cms-pc3 (cms-pc3.scf.fundp.ac.be [138.48.16.183]) by spsrv.scf.fundp.ac.be (AIX4.2/UCB 8.7/8.7) with SMTP id QAA35150 for ; Mon, 17 Aug 1998 16:35:06 +0200 (DFT) Message-Id: <3.0.32.19980817162233.0096ae30@spsrv.scf.fundp.ac.be> X-Sender: fooms@spsrv.scf.fundp.ac.be X-Mailer: Windows Eudora Pro Version 3.0 (32) Date: Mon, 17 Aug 1998 16:22:34 +0200 To: chemistry@www.ccl.net From: Fred Ooms Subject: docking programs Mime-Version: 1.0 Content-Type: text/plain; charset="us-ascii" Dear Colleagues, I am looking for any available program for protein-DNA docking running on SGI or IBM RS6000 or SP2. The answers will be summarized. Thanking you in advance. Fred Ooms FUNDP Lab CMS / Dpt Chemistry Rue de Bruxelles 61 5000 Namur BELGIUM tel (0)81/724569 fax (0)81/724530