Thanks Dan! You were in your rights to just answer RT(*)M...!
I looked at the Amber14 manual.
Sorry!
--Marc
On 20 October 2016 at 13:06, Daniel Roe <daniel.r.roe.gmail.com> wrote:
> Hi,
>
> On Thu, Oct 20, 2016 at 7:20 AM, Marc van der Kamp
> <marcvanderkamp.gmail.com> wrote:
> > This may be a naive question, but I couldn't find the answer to it easily
> > in the manual or mailing list:
>
> Amber 16 manual section '29.10.10 diagmatrix' subsection 'Output
> Format', page 632:
>
> Output Format
> The “modes” or “evecs” output file is a text file with the following
> format:
> [Reduced] Eigenvector file: <Type> nmodes <#> width <width>
> <# Avg Coords> <Eigenvector Size>
> <Average Coordinates>
> Where <Type> is a string identifying what kind of matrix the
> eigenvectors/eigenvalues were determined from,
> nmodes is how many eigenvectors are in the file, and <Average
> Coordinates> are in lines 7 columns wide, with
> each element having width specified by <width>. Then for each eigenvector:
> ****
> <Eigenvector#> <Eigenvalue>
> <Eigenvector Coordinates>
> ...
> Where <Eigenvector Coordinates> are in lines 7 columns wide, with each
> element having width specified by
> <width>.
>
> -Dan
>
> > What is the format of the diagmatrix output?
> > In particular, I would like to find the eigenvalues for each of the
> > principal components from a PCA analysis.
> >
> > Thanks!
> > Marc
> > _______________________________________________
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> > 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 Thu Oct 20 2016 - 09:30:03 PDT
