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

Igor Druz idruz512 at gmail.com
Sat Jul 14 16:23:35 CEST 2012


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,

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