Thanks. Found it.
I will try the command and post if i bump into trouble.
Regards
Abhilash
On Fri, Dec 30, 2016 at 11:31 PM, Daniel Roe <daniel.r.roe.gmail.com> wrote:
> Hi,
>
> Check the 'modes eigenval' command in cpptraj.
>
> -Dan
>
> On Fri, Dec 30, 2016 at 12:39 PM, Abhilash J <md.scfbio.gmail.com> wrote:
> > Hi everyone,
> >
> > I came across papers using PCA which state something like PC1 and PC2
> > explain 80% and 15% variation data. I want to inquire how to calculate
> this
> > in AMBER. I have read the PCA tutorial of AMBER (
> > http://www.amber.utah.edu/AMBER-workshop/London-2015/pca/). It was quiet
> > interesting and helpful but i could not find how to calculate the
> > percentage contribution of each PC.
> > Please help.
> >
> >
> > Regards
> >
> > Abhilash
> > _______________________________________________
> > AMBER mailing list
> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
>
>
>
> --
> -------------------------
> Daniel R. Roe
> Laboratory of Computational Biology
> National Institutes of Health, NHLBI
> 5635 Fishers Ln, Rm T900
> Rockville MD, 20852
> https://www.lobos.nih.gov/lcb
>
> _______________________________________________
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>
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Received on Fri Dec 30 2016 - 10:30:03 PST
