[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.



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