[gmx-users] mean square displacement of the chain center of mass

[David van der Spoel]

ARGYRIOS KARATRANTOS wrote:
> i have some polymeric chain sin a water solvent. and i want to measure the mean
> square displacement of the chain center of mass during time t, 
> 
-mol
> what option in the g_msd command should i select for the msd of the center of
> mass of chain
> 
> thanks in advance
> Argyris Karatrantos
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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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