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

XAvier Periole 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:

> 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
> -- 
> gmx-users mailing list    gmx-users at gromacs.org
> http://lists.gromacs.org/mailman/listinfo/gmx-users
> * Only plain text messages are allowed!
> * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
> * Please don't post (un)subscribe requests to the list. Use the 
> www interface or send it to gmx-users-request at gromacs.org.
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists

More information about the gromacs.org_gmx-users mailing list