[gmx-users] Concoord-ED

[Ruben M Buey]

Hi all,
I´m trying to perform a combined essential dynamics analysis of 
different CONCOORD simulations of a very big system (more than 40000 
atoms).
I think it would be better to do a combined-ED analysis on separately 
parts of this big system.
Should I construct the covariance matrix with the whole system C-alpha 
and then project onto the corresponding eigenvectors only the part of 
the trajectory I am interested in? Or should I construct the covariance 
matrix only for the small set of atoms I am interested in?
Thanks a lot for your kind attention,
Bests,
Ruben

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Ruben M Buey. PhD student. Lab 308
Centro de Investigaciones Biologicas
Consejo Superior de Investigaciones Cientificas
Dpt. Protein Function and Structure
C/ Ramiro de Maeztu, 9 
28040  Madrid   (SPAIN)
Phone:   34-918373112 ext 4380
Fax:     34-915360432
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