[gmx-users] RE: g_anaeig output
akdemir at few.vu.nl
akdemir at few.vu.nl
Tue Jun 15 15:00:54 CEST 2004
Dear Berk (and others)
This is what I mean.
I performed g_anaeig on the eigenvectors and eigenvalues that I obtained from
g_covar. I have chosen the option -comp -rmsf and -proj. -last and -first are
default so it gives the output for the first until the eight eigenvector. The
output of -proj will give the eigenvalue of an eigenvector as a function of
the time (if I understood correctly). The problem is that eigenvector 1 only
spans half of the total simulation time, while the other vectors span the
whole simulation time.
I also see a related problem for the output of -comp and -rmsf. Here the value
of the eigenvectors as a function of the atomnumber is given as output.
However, I only see half of my atoms in eigenvector 1, but all atoms in the
other eigenvectors.
I hope this makes it clear.
Thanks,
Atilla
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