[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)?
Thanks
Jiom
More information about the gromacs.org_gmx-users
mailing list