[gmx-users] PCA

pawan raghav pwnrghv at gmail.com
Fri Aug 13 21:34:53 CEST 2010

I have done PCA using first g_covar and got eigval.xvg and eigenvec.trr
files. The eigenvectors were analyzed by g_anaeig program and got
eigcomp.xvg, eigrmsf.xvg, proj.xvg, and 2dproj.xvg files. Then I want to
1. Which file among these shows relative positional fluctuation with
eigenvector index.
2. Probability distributions for the displacements along several
3. Absolute values of the projections of the (normalized) extracted vectors.
4. Cumulative percentage of the motion  of a protein from eigvalues.xvg file

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