[gmx-users] How to obtain MSD trajectory for only one direction from g_msd ??

Kiwoong Kim ilmarejoe at gmail.com
Thu Nov 22 11:44:56 CET 2012


It seems that the one directional diffusion constants can be obtained by
means of g_msd ...blabla...-type z.

However, my question is that I don't want to obtain the diffusion constants.

Actually, the MSD trajectory file for all 3 dimensional data can be
obtained by conventional g_msd...
Instead, I want to obtain MSD (time)trajectory file (.xvg file) that
contain only one directional, say z, data.

I want to analyze it and regress it by curve fitting from the MSD data.

How can I do this ?

with best regard

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