[gmx-users] XYZ-Direction of eigenvector

[Linder Tobias]

Dear gromacs users,

I used g_covar in order to get the eigenvectors of a MD simulation. Analysis of the eigenvalue plot showed the high eigenvalue of the first eigenvector. I also used gmxdump in order to analyse eigenvec.trr. Frame 1 of the eigenvec.trr shows the eigenvector direction of each atom of eigenvector 1.
I was wondering if there is a single XYZ-Direction (only one general direction, not for each atom) of this first eigenvector because to my (basic) knowledge, there should be an eigenvector direction corresponding to the eigenvalue in the eigenvalue plot.

Thank you in advance
Tobias
PhD Student
University of Vienna
Austria