VMD-L Mailing List
From: nicolas.floquet_at_univ-reims.fr
Date: Fri Jun 01 2007 - 07:41:27 CDT
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Dear VMD/NAMD users,
does someone has designed a script in tcl to automatically calculate self-coefficient diffusion (D) from a MD simulation ?
In my case i would like to calculate D for an ensemble of molecules dissolved in a box of water molecules.
if yes ... im strongly interested in :-).
Thank you in advance.
Nicolas Floquet
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