[gmx-users] g_covar

[Tsjerk Wassenaar]

Hi Kavya,

Each atom has three coordinates; 3*3740=11220 coordinates, yielding as
many eigenvalues and -vectors.

Cheers,

Tsjerk

On Wed, Jun 1, 2011 at 2:44 PM, Kavyashree M <hmkvsri at gmail.com> wrote:
> Dear users,
>
>          I was using g_covar (gmx 4.5.3) to find the eigenvalue and
> eigenvectors. When I used for "protein" which is actually - 3740 in
> number, it gave a total of 11220 eigenvalues, similarly for bacbone,
> c-alpha atoms, the number of eigenvalues given was not matching
> with the number of atoms in question.
> I presume that the number of eigenvalues generated should correspond
> to the number of atoms considered in question.
> But the xpm file generated corresponds with the query given ie., protein,
> C-alpha or backbone as expected.
>
> Kindly clarify my doubts.
>
> Thank you
> With regards
> M. Kavyashree
>
> --
> gmx-users mailing list    gmx-users at gromacs.org
> http://lists.gromacs.org/mailman/listinfo/gmx-users
> Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
> Please don't post (un)subscribe requests to the list. Use the
> www interface or send it to gmx-users-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>



-- 
Tsjerk A. Wassenaar, Ph.D.

post-doctoral researcher
Molecular Dynamics Group
* Groningen Institute for Biomolecular Research and Biotechnology
* Zernike Institute for Advanced Materials
University of Groningen
The Netherlands