[gmx-users] MSD normalization

Sławomir Stachura stachura.gmxuser at gmail.com
Sun Dec 4 22:38:47 CET 2011


Hi,

I was just wondering how MSDs in Gromacs are normalized. I am calculatiing MSDs for my lipid system of different timesteps of simulation and I get much higher results for centre of mass calculations in comparison to mass-weighted one.  And I thought about normalization issue, but I couldn't find any informations concerning that topic in manual.
I'd be grateful if someone could explain how mean square displacement is normalized.

Cheers,  
   Slawomir


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