From jaouad@ugr.es Sat Feb 25 08:53:29 1995 Received: from ocelote.cica.es for jaouad@ugr.es by www.ccl.net (8.6.9/930601.1506) id IAA11245; Sat, 25 Feb 1995 08:40:09 -0500 Received: (from ean@localhost) by ocelote.cica.es (8.6.9/8.6.9) id OAA04489 for CHEMISTRY@ccl.net; Sat, 25 Feb 1995 14:33:55 +0100 X400-Received: by mta rica in /PRMD=/ADMD=/C=/; Relayed; Sat, 25 Feb 1995 14:33:15 UTC+0100 X400-Received: by /PRMD=iris/ADMD=mensatex/C=es/; Relayed; Sat, 25 Feb 1995 14:33:15 UTC+0100 X400-Received: by /PRMD=es/ADMD=/C=/; Relayed; Fri, 24 Feb 1995 17:31:07 UTC+0200 Date: Fri, 24 Feb 1995 17:31:07 UTC+0200 X400-Originator: jaouad@ugr.es X400-Recipients: non-disclosure:; X400-Content-Type: P2-1984 (2) X400-MTS-Identifier: [/PRMD=es/ADMD=/C=/;950224173107] Content-Identifier: 40 Conversion: Prohibited From: Jaouad el bahraoui To: CHEMISTRY@ccl.net (confirm) Message-ID: <40*/S=jaouad/O=ugr/PRMD=iris/ADMD=mensatex/C=es/@MHS> Subject: DGAUS BASIS AND G92/DFT Return-Receipt-To: Jaouad el bahraoui MIME-Version: 1.0 (Generated by Ean X.400 to MIME gateway) Dear Net-chemists I'm sorry, I haven't post my problem adequatly, I'm doing some calculations with G92/DFT and I'want to performe it with DGAUS basis set, knowing that gaussian dont accept auxiliary basis set Does anyone know if it possible. thanks in advance. jaouad ******************************************************************************** EL BAHRAOUI JAOUAD Ph.D.STUDENT Instituto de Biotecnologia Grupo de Modelizacion y Diseno Molecular Universidad de GRANADA,Facultad de Ciencias, GRANADA 18071,Spain TEL: 34-58-243186. FAX: 34-58-243186 EMAIL: jaouad@ugr.es ******************************************************************************** From mercie@mail.med.cornell.edu Sat Feb 25 13:52:48 1995 Received: from mail.med.cornell.edu for mercie@mail.med.cornell.edu by www.ccl.net (8.6.9/930601.1506) id MAA13186; Sat, 25 Feb 1995 12:54:14 -0500 Received: (from mercie@localhost) by mail.med.cornell.edu (8.6.10/ech1.75) id MAA01215; Sat, 25 Feb 1995 12:54:12 -0500 Date: Sat, 25 Feb 1995 12:54:12 -0500 (EST) From: Gustavo Mercier To: CCL Subject: car-parinello, fhi93cp whereabouts Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Hi! Recently, someone posted a message that among other things implied the existence of a car-parrinello program available throught ftp. Apparently, it is called fhi93cp, but I had no success looking for it throught archie or a variety of www search engines. No reference to this program is available in the ccl files, either. Could anybody familiar with this or any ftp available car-parrinello program/routines elaborate on their access and internet location? I will summarize for the ccl any info I receive on the subject. Thanks! Cheers! Gustavo A. Mercier, Jr. mercie@mail.med.cornell.edu From JeanLuc.Verschelde@rug.ac.be Sat Feb 25 07:23:37 1995 Received: from mserv.rug.ac.be for JeanLuc.Verschelde@rug.ac.be by www.ccl.net (8.6.9/930601.1506) id HAA10989; Sat, 25 Feb 1995 07:23:35 -0500 Received: from allserv.rug.ac.be by mserv.rug.ac.be with SMTP id AA23224 (5.67b/IDA-1.5 for ); Sat, 25 Feb 1995 13:22:36 +0100 Received: by allserv.rug.ac.be (5.x/SMI-SVR4) id AA23192; Sat, 25 Feb 1995 13:23:45 +0100 Date: Sat, 25 Feb 1995 13:23:44 +0100 (MET) From: Jean-Luc Verschelde To: OHIO SUPER Subject: Monte carlo Message-Id: Mime-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Status: RO Hi all, I want to use advanced Monte Carlo to explore protein spaces. Can someone give me references of the newest methods to sample more efficiently or smarter. Thanks, Jean-Luc =================================================================================== Verschelde Jean-Luc University of Ghent Lab. for Mathematical Physics | Lab. for Biochemistry | Krijgslaan 286 S9 | K.L. Ledeganckstraat 35 9000 Ghent | 9000 Ghent Belgium. | Belgium. Tel.:09/264 47 94 Fax:09/264 49 89 Email:Jeanluc.Verschelde@rug.ac.be =================================================================================== From FS300627@Sol.YorkU.CA Sat Feb 25 15:52:48 1995 Received: from Sol.YorkU.CA for FS300627@Sol.YorkU.CA by www.ccl.net (8.6.9/930601.1506) id PAA14936; Sat, 25 Feb 1995 15:04:18 -0500 From: Received: from Sol.YorkU.CA by Sol.YorkU.CA (PMDF V4.3-7 #6007) id <01HNGY88OC4G8WWKCL@Sol.YorkU.CA>; Sat, 25 Feb 1995 15:04:09 EST Date: Sat, 25 Feb 1995 15:04:09 -0500 (EST) Subject: Greek letters, superscript and subscript in HTML files To: chemistry@ccl.net Message-id: <01HNGY88PX1E8WWKCL@Sol.YorkU.CA> X-Envelope-to: chemistry@ccl.net X-VMS-To: IN%"chemistry@ccl.net" MIME-version: 1.0 Content-type: TEXT/PLAIN; CHARSET=US-ASCII Content-transfer-encoding: 7BIT Greetings, I thought people might be interested in the following adress that I picked up on the Web. It contains information on how to put greek letters and sub script and superscript in a document. Please look at: http://donald.phast.umass.edu/kicons/greek.html TTFN Patrick van der Valk BioMimic