[gmx-users] x,y and z components of rmsf?

Asaf Farhi asaf.farhi at weizmann.ac.il
Thu Mar 29 00:39:03 CEST 2012

Dear GMCS users

Hi. Does anyone know if MD at 20000K is feasible?

Best regards,
From: gmx-users-bounces at gromacs.org [gmx-users-bounces at gromacs.org] on behalf of Erik Marklund [erikm at xray.bmc.uu.se]
Sent: Wednesday, March 28, 2012 10:37 PM
To: Discussion list for GROMACS users
Subject: Re: [gmx-users] x,y and z components of rmsf?

I believe that rmsf can compute anisotropic b-factors, but have not tried it myself.


28 mar 2012 kl. 22.32 skrev patrick wintrode:

Does some one know of a way to get g_rms or g_rmsf to write out the x, y, and z components of the rms(f) for each atom/residue separately?


Patrick L. Wintrode
Department of Pharmaceutical Sciences
University of Maryland

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