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CCL
July 24, 2003
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From:
"Roma Oakes" <r.e.oakes=at=btconnect.com>
Date:
Thu, 24 Jul 2003 09:33:30 +0100
Subject:
Re: CCL:Crystal structure vs geometry optimised structure
From:
Robert Swofford <swofford..at..wfu.edu>
Date:
Thu, 24 Jul 2003 08:57:52 -0400
Subject:
CCL: RESTARTing a CCSD(T) single-point energy job?
From:
elewars <elewars/at/trentu.ca>
Date:
Wed, 23 Jul 2003 21:37:22 -0400
Subject:
Re: CCL:Crystal structure vs geometry optimised structure
From:
John Bushnell <bushnell/at/chem.ucsb.edu>
Date:
Wed, 23 Jul 2003 15:54:29 -0700 (PDT)
Subject:
Re: CCL:Crystal structure vs geometry optimised structure
From:
sa.cosco.-at-.virgilio.it
Date:
Thu, 24 Jul 2003 18:56:19 +0200
Subject:
Adding counterions on a protein
From:
Pradipta Bandyopadhyay <pradipta[at]cgl.ucsf.edu>
Date:
Thu, 24 Jul 2003 13:26:10 -0700 (PDT)
Subject:
mol2 files with swiss-pdb viewer!!
From:
"Kieran F Lim (Lim Pak Kwan)" <lim[at]deakin.edu.au>
Date:
Fri, 25 Jul 2003 13:21:50 +1000
Subject:
Re: CCL:Crystal structure vs geometry optimised structure
From:
"William Wei" <william.wei[at]utoronto.ca>
Date:
Thu, 24 Jul 2003 14:38:20 -0500
Subject:
Add hydrogens before MS in DOCK?
From:
"S. I. Gorelsky" <gorelsky[at]stanford.edu>
Date:
Thu, 24 Jul 2003 09:11:32 -0700
Subject:
Re: CCL:Atomic Orb. Coefficients in a Molecular Orbital analysis
From:
Robert Swofford <swofford[at]wfu.edu>
Date:
Thu, 24 Jul 2003 14:06:46 -0400
Subject:
CCL: Re: RESTARTing a CCSD(T) job....