From chemistry-request@server.ccl.net Mon Jan 21 10:46:51 2002 Received: from mail.fqspl.com.pl ([212.244.147.7]) by server.ccl.net (8.11.6/8.11.0) with SMTP id g0LFkoI25148 for ; Mon, 21 Jan 2002 10:46:50 -0500 Received: (qmail 1680 invoked from network); 21 Jan 2002 15:46:29 -0000 Received: from magda.fqspl.com.pl (HELO magda) (10.10.10.32) by fqspl.com.pl with SMTP; 21 Jan 2002 15:46:29 -0000 Message-ID: <054e01c1a292$d18bce90$200a0a0a@fqspl.com.pl> Reply-To: "FQS Poland" From: "FQS Poland" To: Subject: MOPAC 2002 for Linux. Unix, Windows Date: Mon, 21 Jan 2002 16:46:40 +0100 MIME-Version: 1.0 Content-Type: text/plain; charset="iso-8859-1" Content-Transfer-Encoding: 7bit X-Priority: 3 X-MSMail-Priority: Normal X-Mailer: Microsoft Outlook Express 5.00.2919.6700 X-MimeOLE: Produced By Microsoft MimeOLE V5.00.2919.6700 MOPAC 2002 for Linux (with GUI), Unix, Windows ============================================ * New method PM5 - 4x more accurate (over PM3 and AM1) * Addition of AM1-d - the full set of metals that can be run using AM1 is now V, Fe, Cu, Mo, Pd, Ag, and Pt. * Linear scaling COSMO * Improved SCF convergence in MOZYME * Improved evaluation of canonical molecular orbitals * Addition of new parameter sets * Molecular Mechanics correction for carbon ring systems To learn more, please visit http://www.fqspl.com.pl/linmopac/default.html ============================================= CAChe WS Pro 5.0 for Win/Mac with MOPAC 2002 ============================================= * Spreadsheet workbook for molecule properties * Quantum chemistry on giant molecules (up to 20,000 atoms) * All main group elements in one semiempirical method * A protein sequence editor * Ease of navigation through tens of thousands of atoms * Integrated QSAR and QSPR for ADME, LogP, Rule-of-5 To learn more or get a free evaluation CD with full version, please visit http://www.CACheSoftware.com/cache5 Magdalena Wilczewska Tel.: (+48 12) 429 43 45