[gmx-users] rolling effect

[Madhuri Agashe]

Hi,
I am trying to study the adsorption behavior of a protein on a SAM surface.
I can see from the trajectories that the protein seems to be rolling over
the SAM.

The RMSD got by g_rms does not give the correct representation of this. I
was wondering if there is any command in GROMACS that will be able to
capture this rolling effect during data analysis.

What does g_msd do? Or will g_rmsdist help?

Thanks,
Madhuri


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