[gmx-users] Comparing amplitudes of motions in two MD simulations

[Igor Druz]

Hello,

I would like to compare amplitude of motion of a specific atom in two
sets of MD simulations. Something like rms of displacements about the
equilibrium position would do. In your experience, which gromacs
analysis tools would be suitable for this? Any other insight into how
this can be done best is appreciated.

Thank you,
Igor