[gmx-users] g_covar question

Bert de Groot bgroot at gwdg.de
Mon Jun 2 13:34:01 CEST 2003

Ruben Martinez Buey wrote:
> Hi all,
> Only a short question for g_covar:
> In a Combined Essential dynamics analysis (ED on a trajectory from two
> concatenated trajectories), should I use the deviation from the conformation in
> the structure file instead of from the average?

depends on the question you're asking, but usually not, since in such a combined
analysis one is actually mostly interested in the deviations (in each part)
from the common average.


Dr. Bert de Groot

Max Planck Institute for Biophysical Chemistry
Theoretical molecular biophysics group
Am Fassberg 11 
37077 Goettingen, Germany

tel: +49-551-2011306, fax: +49-551-2011089

email: bgroot at gwdg.de

More information about the gromacs.org_gmx-users mailing list