[gmx-users] Comparing amplitudes of motions in two MD simulations
x.periole at rug.nl
Sat Jul 14 19:57:32 CEST 2012
rmsf is what you are looking for. g_rmsf should help.
On Jul 14, 2012, at 16:23, Igor Druz <idruz512 at gmail.com> wrote:
> 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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