Hi,
By convention, cpptraj orders eigenvectors (and eigenvalues) from most
significant to least significant. In "evecs" file output, the
eigenvalue is printed right before its associated eigenvector.
Hope this helps,
-Dan
On Wed, Aug 1, 2018 at 7:39 AM, Adam Jo Elatico <ajelatico.up.edu.ph> wrote:
> Hi all,
>
> I'm trying to perform principal component analysis on my system trajectory
> using cpptraj. I've noticed that the eigenvalue for each mode increases
> with increasing mode number. Thus, the fractional contribution of each
> eigenvalue increases as well.
>
> What does this mean? Does it mean that mode #1 does not correspond to PC1
> (i.e., the PC with the largest contribution to overall motion)? Please do
> enlighten me.
>
> Many thanks!
> Adam
>
>
> --
>
> *Adam Jo J. Elatico*
> Science Researcher
> University of the Philippines Diliman
> Quezon City, Philippines 1101
> Phone: +639364081744
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Received on Wed Aug 01 2018 - 09:30:03 PDT
