[gmx-users] PCA component

Anirban Ghosh reach.anirban.ghosh at gmail.com
Fri May 7 14:17:41 CEST 2010


I am trying to do a PCA for my simulation. I generated a covarience matrix
using g_covar and now I want to visualize the motion only along first
principal component. So with g_anaeig I gave the option "-first 1" "-last
1". But it gave the error as:

Fatal error:
You have selected less than 3 eigenvectors
Cant I generate the projections and filtered trajectories along only one PC?

Any suggestion is welcome. Thanks a lot in advance.


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