[gmx-users] g_anaeig -over: exact overlap definition?

Sebastian Stolzenberg s.stolzenberg at gmail.com
Thu Feb 4 05:47:13 CET 2010


Dear All,

I am running:
g_anaeig -v evecs1.trr -v2 evecs2.trr -over

In the output file "overlap.xvg" of g_anaeig, how is the subspace 
overlap defined exactly?

1.)
If -v and -v2 both have N eigenvectors of dimension M.
2.)
If each eigenvector in -v and -v2 has M dimension, but -v2 has N 
eigenvectors, whereas -v2 contains only one eigenvector.
(I found a way to do this.)

Thanks,
Sebastian



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