When you write the "eigenmodes" file (from e.g. 'diagmatrix out
<file>') The eigenvalue is printed after "****" right before the
eigenvector (after the average coordinates at the beginning of the
file. See the manual entry of the 'diagmatrix' command for the full
file format description. It will be something like:
****
1 233.95730
Here the eigenvalue is 233.95730.
-Dan
On Mon, Apr 27, 2020 at 4:32 PM SUNITA MUDULI <sunitamuduli675.gmail.com> wrote:
>
> How to get the eigenvalues corresponding to each mode from the dataset
> "myEvecs" of PCA using cpptraj.
> *SUNITA MUDULI*
> *JUNIOR RESEARCH FELLOW,*
>
>
> *Theoretical And Computational Chemistry ,Department Of Chemistry ,*
> *IIT Kharagpur.*
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Received on Wed Jun 24 2020 - 09:00:04 PDT
