On Wed, 27 Jan 2016 14:48:11 +0530
richa anand <richaaanand.gmail.com> wrote:
> Hello Jason,
>
> Thanks for your reply. I am using AMBER 12, and the output I got after
> matrix and diagmatrix command is given below:
>
>
> After "****" I am not able to identify eigenvalues. Can you please
> suggest me how I can do PCA and it's result's interpretation using
> AMBER12.
From the AmberTools 15 manual, p 614-615 (readily downloadable from
http://ambermd.org/doc12/Amber15.pdf):
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>.
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Received on Wed Jan 27 2016 - 02:00:03 PST
