From mathieu@ripault.cea.fr Wed Apr 8 13:23:08 1998 Received: from nenuphar.saclay.cea.fr for mathieu@ripault.cea.fr by www.ccl.net (8.8.3/950822.1) id MAA13812; Wed, 8 Apr 1998 12:24:10 -0400 (EDT) Received: from muguet.saclay.cea.fr (muguet.saclay.cea.fr [132.166.192.6]) by nenuphar.saclay.cea.fr (8.8.8/CEAnet-relay-4.1.1) with ESMTP id SAA01266 for ; Wed, 8 Apr 1998 18:24:08 +0200 (MET DST) Received: from cerbere.limeil.cea.fr (cerbere.bruyeres.cea.fr [132.165.76.1]) by muguet.saclay.cea.fr (8.8.8/CEAnet-relay-4.1.1) with SMTP id SAA13276 for ; Wed, 8 Apr 1998 18:24:08 +0200 (MET DST) Received: by cerbere.limeil.cea.fr (CEANET-1.1+) id AA14184; Wed, 8 Apr 1998 18:24:04 +0200 Received: from indre.ripault.cea.fr(132.165.32.1) by cerbere via smap id sma014182; Wed Apr 8 18:23:36 1998 Received: from ripault.cea.fr (cher.ripault.cea.fr [132.165.32.3]) by ripault.cea.fr. (8.8.5/8.7.3) with ESMTP id SAA00632 for ; Wed, 8 Apr 1998 18:22:23 +0200 Received: from cher.ripault.cea.fr (localhost [127.0.0.1]) by ripault.cea.fr (8.8.7/8.8.7) with SMTP id RAA03050 for ; Wed, 8 Apr 1998 17:23:13 +0200 Sender: mathieu@ripault.cea.fr Message-Id: <352B9660.25E67355@ripault.cea.fr> Date: Wed, 08 Apr 1998 15:23:12 +0000 From: Didier MATHIEU Organization: CEA - Le Ripault X-Mailer: Mozilla 3.01 (X11; I; Linux 2.0.32 i586) Mime-Version: 1.0 To: chemistry@www.ccl.net Subject: intermolecular potential / nitro group Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit Dear CCLers, Does anybody know if empirical potentials are available for nitro groups ? We are in fact looking for non-bonded (intermolecular) terms. So far we are using AMBER95 but there is no atoms types for N and O in nitros, to our knowledge. Thanks. Regards. -- Didier MATHIEU CEA - Le Ripault, BP 16 37260 Monts (France) Tel. 33(0)2.47.34.41.85