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
> _______________________________________________
> 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
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Oct 20 2016 - 05:30:03 PDT
