From chemistry-request _-at-_)server.ccl.net Sat May 4 21:29:43 2002 Received: from donkeykong.gpcc.itd.umich.edu (smtp&$at$&[141.211.2.163]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id g451ThI27536 for ; Sat, 4 May 2002 21:29:43 -0400 Received: from rastan.gpcc.itd.umich.edu (rastan.gpcc.itd.umich.edu [141.211.2.215]) by donkeykong.gpcc.itd.umich.edu (8.8.8/4.3-mailhub) with ESMTP id VAA22058 for ; Sat, 4 May 2002 21:29:43 -0400 (EDT) Received: from localhost (brupalf _-at-_)localhost) by rastan.gpcc.itd.umich.edu (8.9.1a/5.1-client) with ESMTP id VAA13838 for ; Sat, 4 May 2002 21:29:43 -0400 (EDT) Precedence: first-class Date: Sat, 4 May 2002 21:29:43 -0400 (EDT) From: Bruce Allan Palfey X-X-Sender: brupalf %-% at %-% rastan.gpcc.itd.umich.edu To: CHEMISTRY-: at :-ccl.net Subject: amides in AM1/GAMESS Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Hi I want to minimize some structures containing amides at the AM1 level using GAMESS. I know that in MOPAC the MMOK keyword is necessary in order to properly treat amides. Is there a corresponding keyword to apply a molecular mechanics correction in GAMESS, or is the correction applied automatically? ciao, Bruce Palfey Department of Biological Chemistry University of Michigan Ann Arbor, MI 48109-0606