[gmx-users] regarding MSD

Nidhi Katyal nidhikatyal1989 at gmail.com
Thu Aug 21 18:26:50 CEST 2014

Hello all

I have read few papers that determine transition temperature from the plot
of average MSD versus temperature. My question is:
At a particular temperature, we get a linear curve for MSD versus time, is
it reasonable to calculate average MSD over all such time points? Is this
the average that is plotted in papers (or something is missing) ? My doubt
is won't this average depend on the number of time points (due to its
linear nature)?
Any help is highly appreciated.


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