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From: Nicolas Floquet (floquet_at_icsn.cnrs-gif.fr)
Date: Fri Dec 08 2006 - 04:21:48 CST
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Hello,
does anyone knows about a script in tcl to compute the values of diffusion coefficient of one particular molecule in a system along a MD trajectory ?
Thanks.
Nicolas
Dr. Nicolas Floquet
------------------------------
Institut de Chimie des Substances Naturelles (ICSN)
UPR-2301 CNRS
Bat.27, 1 avenue de la Terrasse
91198 Gif sur Yvette
FRANCE
Email : floquet_at_icsn.cnrs-gif.fr
Tel : 01 69 82 30 59
- Next message: Nicolas Floquet: "Diffusion coefficient"
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- Next in thread: Ivan Degtyarenko: "Re: diffusion coefficient"
- Reply: Ivan Degtyarenko: "Re: diffusion coefficient"
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