May be you are looking for (assuming you have eigenvector file)
sed -n '/*/{n;p;}' evecs.dat > yourEigVal.txt
This will extract each second line after '****' (as Daniel explained)
Jio
On Tue, Sep 30, 2014 at 3:14 PM, Daniel Roe <daniel.r.roe.gmail.com> wrote:
> The eigenvalues are printed in the output from the 'diagmatrix' (aka
> 'analyze matrix') command. The format of the 'eigenmodes' output is:
>
> Eigenvector file: <type> nmodes <# of modes> width <data element width X>
> <# avg coordinates> <vector size>
> <Avg coordinates, 7FX.5 columns>
>
> Then for each eigenmode/principal component:
>
> ****
> <eigenmode number> <eigenvalue>
> <eigenvector, 7FX.5 columns>
>
> So in the line after each '****' the second column contains the
> eigenvalue for the subsequent eigenvector. Note that if the matrix was
> a mass-weighted covariance matrix the eigenvalue units are converted
> from Ang^2*amu to cm^-1.
>
> Hope this helps,
>
> -Dan
>
>
> On Mon, Sep 29, 2014 at 10:37 PM, Nicole Ippolito
> <ippolito.nicole89.gmail.com> wrote:
> > Hello Amber Community,
> >
> > I am calculating the percent common variance for PCA. I am wondering if
> > there is a keyword in cpptraj to pull out the eigenvalues or if I need to
> > do this manually.
> >
> > Thank you,
> >
> > Nicole
> > _______________________________________________
> > AMBER mailing list
> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
>
>
>
> --
> -------------------------
> Daniel R. Roe, PhD
> Department of Medicinal Chemistry
> University of Utah
> 30 South 2000 East, Room 307
> Salt Lake City, UT 84112-5820
> http://home.chpc.utah.edu/~cheatham/
> (801) 587-9652
> (801) 585-6208 (Fax)
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
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Received on Tue Sep 30 2014 - 17:00:02 PDT
