[gmx-users] g_covar

Kavyashree M hmkvsri at gmail.com
Wed Jun 1 14:44:58 CEST 2011


Dear users,

         I was using g_covar (gmx 4.5.3) to find the eigenvalue and
eigenvectors. When I used for "protein" which is actually - 3740 in
number, it gave a total of 11220 eigenvalues, similarly for bacbone,
c-alpha atoms, the number of eigenvalues given was not matching
with the number of atoms in question.
I presume that the number of eigenvalues generated should correspond
to the number of atoms considered in question.
But the xpm file generated corresponds with the query given ie., protein,
C-alpha or backbone as expected.

Kindly clarify my doubts.

Thank you
With regards
M. Kavyashree
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