From chemistry-request /at\www.ccl.net Mon Mar 15 08:38:04 1999 Received: from pobox.csc.fi (pobox.csc.fi [128.214.46.62]) by www.ccl.net (8.8.3/8.8.6/OSC/CCL 1.0) with ESMTP id IAA09433 Mon, 15 Mar 1999 08:37:58 -0500 (EST) Received: from voxopm-e.csc.fi (voxopm-e.csc.fi [128.214.46.23]) by pobox.csc.fi (8.9.0.Beta5/8.9.0.Beta5/CSC/Rtrs-1.22) with ESMTP id PAA11429 for ; Mon, 15 Mar 1999 15:37:50 +0200 (EET) Date: Mon, 15 Mar 1999 15:37:49 +0200 From: Maija Lahtela X-Sender: mlahtela[ AT ]voxopm.minedu.fi To: chemistry ^at^ www.ccl.net Subject: Convergence criteria in amber using Gaussian98 Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Dear netters, I would appreciate your help in my problem. I would like to change the convergence criteria in G98 as I use amber (option-line #P amber opt), but I have not find how. I know how to change them if one uses basis set, but in manual there is little help when one wants to use molecular mechanics. Yours, Maija Lahtela-Kakkonen *************************************** Maija Lahtela-Kakkonen Researcher CSC-Center for Scientific Computing Tekniikantie 15 a D P.O.Box 405 FIN-02101 ESPOO FINLAND TEL 358-9-4572079 FAX 358-9-4572302 E-MAIL mlahtela#* at *#csc.fi ***************************************