From rino-!at!-gpc.ibc.wustl.edu Mon Aug 3 19:25:04 1998 Received: from wugate.wustl.edu (wugate.wustl.edu [128.252.120.1]) by www.ccl.net (8.8.3/8.8.6/OSC/CCL 1.0) with ESMTP id TAA19879 Mon, 3 Aug 1998 19:25:04 -0400 (EDT) Received: from [128.252.137.150] ([128.252.137.150]) by wugate.wustl.edu (8.8.8/8.8.5) with ESMTP id SAA25866; Mon, 3 Aug 1998 18:25:02 -0500 (CDT) Date: Mon, 3 Aug 1998 18:25:02 -0500 (CDT) Message-Id: Mime-Version: 1.0 Content-Type: text/plain; charset="us-ascii" To: gamess-users-request(+ at +)glue.umd.edu From: Rino Ragno Subject: Gamess->Estar Cc: CHEMISTRY-!at!-www.ccl.net Hi gamess users and CClers, I am a novice user of the gamess programm. My general problem is to calculate multipoles for big molecules. I thought to use gamess to calculate the multipoles on the molecule's fragments and then reconstruct the whole molecule using the estar program. here is my question: there is anyone out there that can tell me if exist any conversion routine from the gamess output to estar? Any suggestion would be appreciated. Thank to all Ciao -- Rino Ragno ++----------------------------------------------------------------------++ ++----------------------------------------------------------------------++ || || || Dr. Rino Ragno E-mail: ragno.,at,.uniroma1.it || || Institute for Biomedical Computing or: rino ^%at%^ gpc.wustl.edu || || Center for Molecular Design or: ragno%!at!%axcasp.caspur.it || || Box8036, Washington University Phone : 314-362-2272 || || 700 South Euclid Avenue FAX : 314-362-0234 || || St. Louis, Missouri 63110 || || U. S. A. || || || || WEB PAGE : www.ibc.wustl.edu/cmd/people/rino/rino.html || || || ++----------------------------------------------------------------------++ ++----------------------------------------------------------------------++