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
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--
-------------------------
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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Received on Fri Dec 30 2016 - 10:30:02 PST
