From pobirbaa@sq.ehu.es Fri May 15 13:31:11 1998 Received: from scsx01.sc.ehu.es for pobirbaa@sq.ehu.es by www.ccl.net (8.8.3/950822.1) id MAA17630; Fri, 15 May 1998 12:51:36 -0400 (EDT) Received: from scox01.sc.ehu.es (scox01.sc.ehu.es [158.227.150.10]) by scsx01.sc.ehu.es (8.8.4/8.7.3) with ESMTP id SAA27969 for ; Fri, 15 May 1998 18:51:24 +0200 (MET DST) Status: N Received: from sqpx49.sq.ehu.es (sqpx49.sq.ehu.es [158.227.108.49]) by scox01.sc.ehu.es (8.8.5/8.7.3) with SMTP id SAA15426 for ; Fri, 15 May 1998 18:51:24 +0200 (MET DST) Message-Id: <3.0.5.32.19980515185527.007a8560@158.227.150.10> X-Sender: pobirbaa@158.227.150.10 X-Mailer: QUALCOMM Windows Eudora Light Version 3.0.5 (32) Date: Fri, 15 May 1998 18:55:27 +0200 To: chemistry@www.ccl.net From: Arantxa Irigoras Balda Subject: G94 installation script file for Linux Mime-Version: 1.0 Content-Type: text/plain; charset="us-ascii" >Dear CCLrs, > > We would like to install G94 into an > > Pentium II a 266 MHz with 128 MB of RAM and a hard disk of 4,2 GB > over Linux RedHat 5.0 > > Does anybody know if we could get an installation script file ? > > Thanks in advance, > > Arantxa Irigoras. From mathieu@ripault.cea.fr Thu May 14 11:30:58 1998 Received: from nenuphar.saclay.cea.fr for mathieu@ripault.cea.fr by www.ccl.net (8.8.3/950822.1) id KAA09367; Thu, 14 May 1998 10:39:05 -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 QAA20614 for ; Thu, 14 May 1998 16:38:58 +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 QAA12626 for ; Thu, 14 May 1998 16:38:58 +0200 (MET DST) Received: by cerbere.limeil.cea.fr (CEANET-1.1+) id AA06890; Thu, 14 May 1998 16:38:56 +0200 Received: from indre.ripault.cea.fr(132.165.32.1) by cerbere via smap id sma006887; Thu May 14 16:38:30 1998 Received: from ripault.cea.fr (cher.ripault.cea.fr [132.165.32.3]) by ripault.cea.fr. (8.8.7/8.7.3) with ESMTP id QAA13096 for ; Thu, 14 May 1998 16:37:12 +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 QAA02311 for ; Thu, 14 May 1998 16:37:57 +0200 Sender: mathieu@ripault.cea.fr Message-Id: <355B01C1.5C3B81E1@ripault.cea.fr> Date: Thu, 14 May 1998 14:37:53 +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: Force field parameters for Sn ? Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit Dear colleagues, I need to carry out molecular mechanics calculations on organic molecules containing Sn atoms, more specifically, to investigate equilibrium structures of those molecules and clusters. In order to select a suitable force field, I'd like to know what are the parameters for Sn (actually, involved in a -(Sn)H2-alkyl substituant on pyridines) available so far, and for which force fields. I consider the UFF force field, but I'm not sure it is the most suitable ? Thanks for any advice. Regards -- Didier MATHIEU CEA - Le Ripault, BP 16 37260 Monts (France) Tel. 33(0)2.47.34.41.85