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

Tsjerk Wassenaar tsjerkw at gmail.com
Thu Mar 29 06:16:41 CEST 2012

Hi Patrick,

You can extract the diagonal from the covariance matrix generated with
g_covar (-ascii). That is equal to the RMSF per atom-coordinate.



On Wed, Mar 28, 2012 at 10:32 PM, patrick wintrode <pat_wde2 at yahoo.com>wrote:

> 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?
> Thanks.
> Patrick L. Wintrode
> Department of Pharmaceutical Sciences
> University of Maryland
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Tsjerk A. Wassenaar, Ph.D.

post-doctoral researcher
Molecular Dynamics Group
* Groningen Institute for Biomolecular Research and Biotechnology
* Zernike Institute for Advanced Materials
University of Groningen
The Netherlands
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