[gmx-users] g_covar

[Kavyashree M]

Thanks Sir,

Thanks just now I figured it out!

With regards
kavya

On Wed, Jun 1, 2011 at 6:20 PM, Tsjerk Wassenaar <tsjerkw at gmail.com> wrote:

> 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
> >
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>
>
> --
> 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
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