[gmx-users] g_anaeig -extr option

gromacs query gromacsquery at gmail.com
Sun May 11 20:21:28 CEST 2014

Hi All

In g_anaeig we have this option -extr: calculate the two extreme
projections along a trajectory

It provides me two pdb files which are extreme (I don't want to use
interpolate -nframes option). I have simple doubt: say if I am doing this
for Eigenvector 1 (EV1) then do these two pdbs simply correspond to minimum
and maximum values of  projected EV1 (which is actually a PC1; principal
component 1)?


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