[gmx-users] eigenrmsf in COMBINED ESSENTIAL DYNAMICS

sridhar at cdfd.org.in sridhar at cdfd.org.in
Thu Feb 8 06:33:45 CET 2007


Dear Dr. Tsjerk,

Thankyou for the suggession. I am however not clear with the explanation.
Did you mention the calculation of variance using the mean projection for
the eigenrmsf calculations?

The projections of the two trajectories on the combined eigenvectors are
different. But, the eigen rmsf plots with give a residue wise rmsf
fluctuations along individual eigenvectors are also same for both the
trajectories.

Definetly the fluctuations along the combined eigen vectors should be
different for separate trajectories.

Can you explain in a bit detail?

Thanking you,

sridhar





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