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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 (- at -) 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 -x- at -x- docto.unizar.es>
Date:  Thu, 16 May 2002 12:32:16 +0200
Subject:  CCL: summary hbonds charmm (thanks)

From:  Liviu Chibotaru <Liviu.Chibotaru (- 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-0at0-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