Dear Daniel,
Thanks for the response :)
I'm really confused as to why the fractional contribution of mode 1 is the
least of all the modes analyzed. Why is this so?
On Thursday, August 2, 2018, Daniel Roe <daniel.r.roe.gmail.com> wrote:
> 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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--
*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 - 10:00:02 PDT
