[gmx-users] eigenrmsf in COMBINED ESSENTIAL DYNAMICS

sridhar at cdfd.org.in sridhar at cdfd.org.in
Tue Feb 6 03:27:05 CET 2007


I am getting the following unexpected results, from a COmbined Essential
dynamics analysis.
I have concatenated two trajectories of MD runs of similar systems.
Then I ran g_covar to get the eigenvectors and eigenvalues.
Then I ran g_anaeig to find the projections and rmsf fluctuations of the
separate individual trajectories when projected onto the combined eigen
vectors.
As expected the projections of each individual trajectories were different
on the combined eigen vectors. But I get the eigen_rmsf plots exactly the
same for both the trajectories. I tried this for several times but could
not locate the fault in the command submission. Can anybody throw light on
what could be going wrong?

Thanking you,

sridhar acharya.





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