From:	=?iso-8859-1?Q?Holger_Clau=DFen?= <claussen &$at$& biosolveit.de>
Date:	Mon, 6 Jan 2003 09:22:32 +0100
Subject:	RE: FLEXX error message from ligand MOL2 read

From:	"Lubos Vrbka" <shnek -x- at -x- chemi.muni.cz>
Date:	Sun, 5 Jan 2003 10:47:20 +0100
Subject:	Re: CCL:How to analysis the TRAJECTORY file of CPMD

From:	"E.L. Willighagen" <egonw : at : sci.kun.nl>
Date:	Mon, 6 Jan 2003 16:21:23 +0100 (MET)
Subject:	QSAR data set with experimental spectra

From:	Ivan Rossi <ivan %-% at %-% biocomp.unibo.it>
Date:	Mon, 6 Jan 2003 11:33:41 +0100 (CET)
Subject:	ANN: ESF school on structural genomics

From:	Jan Labanowski <jkl <-at-> ccl.net>
Date:	Mon, 6 Jan 2003 10:52:30 -0500 (EST)
Subject:	03.05.18 4th Int Conf Intelligent Process. and Manuf of Materials

From:	osman (- at -) accelrys.com
Date:	Mon, 6 Jan 2003 08:01:16 -0800
Subject:	Call for Posters at Accelrys World

From:	Mozart Pimentel <mozart.pimentel[ AT ]dqf.ufpe.br>
Date:	Mon, 06 Jan 2003 15:00:44 -0200
Subject:	Problem with NBO 5.0 on nwchem 4.1

From:	Jianping Lin <jianping_lin -8 at 8- yahoo.com>
Date:	Mon, 6 Jan 2003 10:02:04 -0800 (PST)
Subject:	HOW to output specific part in Gaussian 98

From:	wei <weiz' at 'mail.rochester.edu>
Date:	Mon, 6 Jan 2003 14:20:38 -0500
Subject:	question about parallel running of charmm

From:	<szilva #*at*# szilva.uklinux.net>
Date:	Mon, 6 Jan 2003 21:02:11 +0000 (GMT)
Subject:	Re: CCL:G98 in parallel in a dual Xeon

From:	<jz7(-(at)-)duke.edu>
Date:	Mon, 6 Jan 2003 18:24:57 -0500
Subject:	UHBD output file

From:	Ken Torikoshi <KTorikoshi (- at -) achillion.com>
Date:	Mon, 6 Jan 2003 21:31:18 -0500
Subject:	Alternative DBs for WDI and MDDR?

From:	"Windus, Theresa L" <Theresa.Windus' at 'pnl.gov>
Date:	Mon, 06 Jan 2003 15:58:55 -0800
Subject:	RE: Problem with NBO 5.0 on nwchem 4.1

From:	"Tapas Kar" <tapaskar -AatT- cc.usu.edu>
Date:	Mon, 6 Jan 2003 14:28:41 -0700
Subject:	RE: HOW to output specific part in Gaussian 98

From:	Ken Torikoshi <KTorikoshi \\at// achillion.com>
Date:	Mon, 6 Jan 2003 21:38:18 -0500
Subject:	Compound catalog in the sdf format