From chemistry-request@server.ccl.net Mon Oct 29 04:08:47 2001 Received: from luc.ac.be ([193.190.2.30]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id f9T98kB18682 for ; Mon, 29 Oct 2001 04:08:46 -0500 Received: from sbg-ts (localhost [127.0.0.1]) by luc.ac.be (8.9.3/8.9.3) with SMTP id KAA12008 for ; Mon, 29 Oct 2001 10:11:45 +0100 (MET) Date: Mon, 29 Oct 2001 10:11:45 +0100 (MET) Message-Id: <200110290911.KAA12008@luc.ac.be> X-Sender: lucp1381@mail.luc.ac.be X-Mailer: Windows Eudora Pro Version 2.1.2 Mime-Version: 1.0 Content-Type: text/plain; charset="us-ascii" To: chemistry@ccl.net From: sergiusz kwasniewski Subject: Pi-SCF in CHARMM Hi, does anyone know whether a Pi-SCF calculation is possible with the CHARMM force field ? Or is it not parametrized to be used for such calculations, as e.g. MM3 does ? Thanks in advance Serge ___________________________________________________ Sergiusz Kwasniewski LUC SBG/TS Universitaire Campus Gebouw D 3590 Diepenbeek BELGIUM tel(direct): 032 (0)11/268315 fax : 032 (0)11/268301 email : sergiusz.kwasniewski@luc.ac.be http://www.luc.ac.be/Research/TheoChem ___________________________________________________