From:	Ferenc Csizmadia <fcsiz "at@at" chemaxon.com>
Date:	Wed, 18 Sep 2002 09:29:30 +0200
Subject:	New releases of Marvin, JChem, JKlustor - software for the manipulation

From:	Ng Man Fai <andy<;at;>yangtze.hku.hk>
Date:	Wed, 18 Sep 2002 17:44:02 +0800 (HKT)
Subject:	Onsager equation

From:	"Shobe, Dave" <dshobe ^at^ sud-chemieinc.com>
Date:	Mon, 16 Sep 2002 11:38:07 -0400
Subject:	RE: activation energy

From:	Chas Simpson <csimpson #*at*# hydrogen.cem.uct.ac.za>
Date:	Tue, 17 Sep 2002 23:07:16 +0200 (SAST)
Subject:	localization schemes

From:	"Matt Ericson" <mattericson # - at - # hotmail.com>
Date:	Mon, 16 Sep 2002 17:07:03 -0400
Subject:	Looking for cc-pcvqz basis set for Cl

From:	amor san juan <a_juanphd[ AT ]yahoo.com>
Date:	Mon, 16 Sep 2002 18:43:31 -0700 (PDT)
Subject:	Re: CCL:autodock

From:	Jolanta Grembecka <jola<;at;>neon.ch.pwr.wroc.pl>
Date:	Tue, 17 Sep 2002 16:58:14 -0700
Subject:	distance matrix problem

From:	Alessandro Contini <alessandro.contini (- at -) unimi.it>
Date:	Wed, 18 Sep 2002 19:16:47 +0200 (CEST)
Subject:	Re: CCL:frequency calculations using MP2 in Gaussian

From:	"Fradera, X. (Xavier)" <X.Fradera<;at;>organon.co.uk>
Date:	Wed, 18 Sep 2002 19:25:41 +0200
Subject:	DOCK

From:	Rick Muller <rpm<;at;>wag.caltech.edu>
Date:	Tue, 17 Sep 2002 15:35:59 -0700
Subject:	PyQuante v1.03: Python Code for Quantum Chemistry (GPL)

From:	Antoine Logean <alogean %-% at %-% aspirine.u-strasbg.fr>
Date:	Wed, 18 Sep 2002 19:28:51 +0200
Subject:	CCL:protein side-chain

From:	=?iso-8859-1?q?Mohamed=20Layachi?= <layachi_med-: at :-yahoo.fr>
Date:	Tue, 17 Sep 2002 03:22:13 +0200 (CEST)
Subject:	need help

From:	ilfir { *at * } bgumail.bgu.ac.il
Date:	Tue, 17 Sep 2002 19:19:12 +0200
Subject:	summary: fluorescence lifetime calculation

From:	Andrij Baumketner <abaumketner - at - chem.ucsb.edu>
Date:	Mon, 16 Sep 2002 19:38:48 -0700 (PDT)
Subject:	CHARMM: Is there any problem with velocity Verlet in c28b2 ?

From:	Roger Hull <rogercc %! at !% mooncott.demon.co.uk>
Date:	Wed, 18 Sep 2002 00:01:19 +0100
Subject:	Re: CCL:Autodock on Windows?

From:	"Dr. Andreas Klamt" <andreas.klamt { *at * } cosmologic.de>
Date:	Wed, 18 Sep 2002 15:57:26 +0200
Subject:	Re: CCL:Onsager equation

From:	ilfir \\at// bgumail.bgu.ac.il
Date:	Wed, 18 Sep 2002 16:22:58 +0200
Subject:	summary: fluorescence lifetime calculation

From:	Antoine Logean <alogean <-at-> aspirine.u-strasbg.fr>
Date:	Wed, 18 Sep 2002 10:26:20 +0200
Subject:	Re: CCL:protein side-chains

From:	Robert Flight <l72k6 \\at// unb.ca>
Date:	Mon, 16 Sep 2002 08:31:04 -0300
Subject:	Distributed Computing and Autodock: Summary

From:	"Nathaniel O.J. Malcolm" <nmalcolm at.at tripos.com>
Date:	Mon, 16 Sep 2002 07:40:31 -0100 (BST)
Subject:	Re: CCL:input orientation

From:	Giulio Vistoli <giulio.vistoli &$at$& unimi.it>
Date:	Tue, 17 Sep 2002 12:17:11 +0200
Subject:	Re: CCL:autodock

From:	<ysabnis (- at -) yahoo.com>
Date:	Sun, 15 Sep 2002 15:00:15 -0700 (PDT)
Subject:	How does one go about finding postdoc positions in Institutions?

From:	Robert Flight <l72k6 #*at*# unb.ca>
Date:	Mon, 16 Sep 2002 11:09:30 -0300
Subject:	Distributed Computing and Autodock: Summary

From:	"Olga Dmitrenko" <odmitr #*at*# UDel.Edu>
Date:	Wed, 18 Sep 2002 16:42:01 -0400
Subject:	IR-spectra from G98 outputs

From:	Mirco Meniconi <mirco -AatT- unipg.it>
Date:	Mon, 16 Sep 2002 11:26:15 +0200 (CEST)
Subject:	molecular surface - properties

From:	Christoph Steinbeck <steinbeck (+ at +) ice.mpg.de>
Date:	Mon, 16 Sep 2002 17:08:43 +0200
Subject:	Re: CCL:linear code to 2D or 3D structure

From:	"Donald Keidel" <dkeidel397()at()att.net>
Date:	Wed, 18 Sep 2002 15:20:49 -0700
Subject:	CPU-hours on supercomputer vs. PC hours