[gmx-users] g_covar question

[Bert de Groot]

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.

Bert

____________________________________________________________________________
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
http://www.mpibpc.gwdg.de/abteilungen/071/bgroot
____________________________________________________________________________