[gmx-users] MSD and self diffusion

[Tsjerk Wassenaar]

Hi Roman,

It would help more if you mention what it does look like and why you would
think it should look otherwise. Maybe you can link us an image of the graph?
Haven't heard of strange behaviour concerning g_msd recently.., but haven't
used it myself lately.

Cheers,

Tsjerk

On 4/12/06, Roman Holomb <romhol at fy.chalmers.se> wrote:
>
> Dear all,
>
> I have strange MSD graphs when I use g_msd for trajectory analysis......
> It not look like (<|r(t)-r(0)|^2>)....
> The simulation time was 5ns. Have someone problems with using g_msd?
>
> Thanks.
> /Roman
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--

Tsjerk A. Wassenaar, M.Sc.
Groningen Biomolecular Sciences and Biotechnology Institute (GBB)
Dept. of Biophysical Chemistry
University of Groningen
Nijenborgh 4
9747AG Groningen, The Netherlands
+31 50 363 4336
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