CCL Home

Up Directory CCL November 14, 2002

Previous day Month index Next day

From:  "Cheol Ho Choi" <cchoi \\at// knu.ac.kr>
Date:  Thu, 14 Nov 2002 16:32:41 +0900
Subject:  Cannot mix post-SCF and DFT ?

From:  FyD <fyd { *at * } u-picardie.fr>
Date:  Thu, 14 Nov 2002 10:08:10 +0100 (CET)
Subject:  GAMESS: pgi compilation

From:  Matthias Mann <Matthias.Mann : at : chemie.tu-dresden.de>
Date:  Thu, 14 Nov 2002 10:22:53 +0100
Subject:  Re: CCL:GAMESS: pgi compilation

From:  Antonio Fernandez <qftramos : at : usc.es>
Date:  Thu, 14 Nov 2002 13:55:50 -0500
Subject:  Error in GAMESS

From:  =?iso-8859-1?Q?Emanuel_Bj=F6rne?= <emanuel.bjorne-: at :-mig.lu.se>
Date:  Thu, 14 Nov 2002 08:35:36 +0100
Subject:  Ligand centroid and ligand torsional angles in AutoDock

From:  "Connie Chang" <cc236 : at : cornell.edu>
Date:  Wed, 13 Nov 2002 22:44:26 -0500
Subject:  Question about how the SCF Energy converges in Gaussian98

From:  Valentin Ananikov <val -x- at -x- ioc.ac.ru>
Date:  Thu, 14 Nov 2002 08:06:32 +0000
Subject:  Re: CCL:Is Computational Chemistry a real science ?

From:  "Gao, Ying-Duo" <yingduo_gao \\at// merck.com>
Date:  Wed, 13 Nov 2002 17:58:28 -0500
Subject:  CHARMM force

From:  "Curt M. Breneman" <brenec -8 at 8- rpi.edu>
Date:  Wed, 13 Nov 2002 18:20:28 -0500
Subject:  Re: CCL:Is Computational Chemistry a real science ?

From:  Irena Efremenko <chrirena[ AT ]techunix.technion.ac.il>
Date:  Thu, 14 Nov 2002 17:53:18 +0200
Subject:  RAID5 help needed

From:  <csaba (+ at +) ovrisc.mdche.u-szeged.hu>
Date:  Thu, 14 Nov 2002 17:04:28 +0100 (CET)
Subject:  Re: CCL:Is Computational Chemistry a real science ?

From:  Gustavo Mercier <gamercier<;at;>yahoo.com>
Date:  Thu, 14 Nov 2002 09:34:08 -0800 (PST)
Subject:  Re: CCL:Is Computational Chemistry a real science ?

From:  "Alexandre Hocquet" <alexandre.hocquet \\at// laposte.net>
Date:  Thu, 14 Nov 2002 15:02:16 +0100
Subject:  Who is the Computational Chemist ?

From:  Connie Chang <cc236 ^at^ cornell.edu>
Date:  Thu, 14 Nov 2002 14:40:53 -0500
Subject:  Question about Guassian98W -- stopping and restarting jobs

From:  Sengen Sun <sengensun ( ( at ) ) yahoo.com>
Date:  Thu, 14 Nov 2002 10:54:03 -0800 (PST)
Subject:  Where should computational chemistry be?

From:  <kresslists (- at -) kressworks.com>
Date:  Thu, 14 Nov 2002 15:12:54 -0500
Subject:  Re: CCL:Who is the Computational Chemist ?

From:  Maurice Cafiero <mcafiero &$at$& u.arizona.edu>
Date:  Thu, 14 Nov 2002 20:10:02 +0000
Subject:  Re: CCL:Who is the Computational Chemist ?

From:  anthony.klon.,at,.pharma.novartis.com
Date:  Thu, 14 Nov 2002 14:40:46 -0500
Subject:  Re: CCL:Who is the Computational Chemist ?

From:  "Axel Mathieu" <Axel.Mathieu <-at-> neokimia.com>
Date:  Thu, 14 Nov 2002 16:03:01 -0500
Subject:  RE: software for ligand-receptor interaction energy evaluation ?

From:  Christopher Cramer <cramer # - at - # pollux.chem.umn.edu>
Date:  Thu, 14 Nov 2002 14:38:27 -0600 (CST)
Subject:  Definitions of terms