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