From:	Mao Xiang <xmao $#at#$ iris.sipp.ac.cn>
Date:	Wed, 15 May 2002 14:53:45 +0800
Subject:	question about optimisation using QM

From:	axel.kohlmeyer -x- at -x- theochem.ruhr-uni-bochum.de
Date:	Thu, 16 May 2002 12:28:32 +0200
Subject:	Re: [CPMD-list] help on parellel computing

From:	Eric Scerri <scerri $#at#$ chem.ucla.edu>
Date:	Fri, 1 Jan 1904 21:44:08 -0800
Subject:	Re: CCL:Hybridization...

From:	Santiago Cuesta <405137 ^at^ docto.unizar.es>
Date:	Thu, 16 May 2002 12:32:16 +0200
Subject:	CCL: summary hbonds charmm (thanks)

From:	Liviu Chibotaru <Liviu.Chibotaru "at@at" chem.kuleuven.ac.be>
Date:	Thu, 16 May 2002 09:32:19 +0200 (CEST)
Subject:	XVI Jahn-Teller Conference

From:	=?gb2312?q?yong=20pei?= <ypnju &$at$& yahoo.com.cn>
Date:	Thu, 16 May 2002 22:51:09 +0800 (CST)
Subject:	Can dynamics pressure of the MD simulation compared with surface tension?

From:	Rajarshi Guha <rajarshi.,at,.presidency.com>
Date:	Thu, 16 May 2002 10:41:18 -0400
Subject:	searching for chemical structures

From:	"Demetrio A. da Silva Filho" <dasf { *at * } ifi.unicamp.br>
Date:	Thu, 16 May 2002 11:39:39 -0700
Subject:	Dipole in G98 output

From:	Milton Taidi Sonoda <msonoda (- at -) iqm.unicamp.br>
Date:	Thu, 16 May 2002 12:37:39 -0300
Subject:	.mol file

From:	"michael hanlon (BITS)" <michael.hanlon #*at*# bbsrc.ac.uk>
Date:	Thu, 16 May 2002 16:54:53 +0100
Subject:	RE: searching for chemical structures

From:	"mer<;at;>chem.wayne.edu" <mer<;at;>gordon.chem.wayne.edu>
Date:	Thu, 16 May 2002 15:08:57 -0400 (EDT)
Subject:	Autodock mol2topdbqs error (fwd)

From:	David Smith <Hunter3 (- at -) mindless.com>
Date:	Thu, 16 May 2002 18:14:04 -0400
Subject:	Autodock: Ligand energy

From:	"xmao <-at-> biosino.org" <xmao <-at-> biosino.org>
Date:	Fri, 17 May 2002 11:12:4 +0800
Subject:	problem in frequency calculation