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From: <byhill$at$empal.com>
To: <chemistry$at$ccl.net>
Reply-To: <jhjung$at$lgchem.com>
Subject: RDF & MSD using center of masses in CHARMM
Date: Mon, 11 Aug 2003 09:33:56 +0900
MIME-Version: 1.0

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Subject : RDF & MSD using center of masses in CHARMM
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Dear CCL,

I'm a beginner in using CHARMM.
I'm trying to calculate diffusion coefficient of electroyte. 
But, I don't know how to calculate RDF & MSD using COM(center of mass) of 
electrolyte. 
Please, could someone send me any example of CHARMM input script for 
RDF & MSD Analysis using center of masses.  

Thanks for any help !

Best Regards !

 
J. Jung
E-mail: jhjung$at$lgchem.com
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