where N is the number of atoms and n is the number of frames :p T.
On Mon, Jul 1, 2013 at 8:29 AM, Tsjerk Wassenaar <tsje...@gmail.com> wrote: > Hi Ankita, > > I should not answer questions before coffee!! Sorry. > > It's the covariance matrix! So it's > > 1/n sum x1x1 1/n sum x1y1 1/n sum x1z1 > 1/n sum x1x2 1/n sum x1y2 1/n sum x1z2 > ... > 1/n sum zNxN 1/n sum zNyN 1/n sum zNzN > > Silly me :| > > Tsjerk > > > On Mon, Jul 1, 2013 at 8:09 AM, Ankita naithani > <ankitanaith...@gmail.com>wrote: > >> Hi Tsjerk, >> Thank you for your reply. So, these are the eigenvectors. By any chance, >> can we obtain the covariance matrix containing the information of residue >> fluctuations I.e. the covariance information. Actually, it was needed to >> obtain the dot plot delta ri dot delta rj so I don't think so I can use >> the >> eigenvectors >> >> >> Kind regards >> >> Ankita >> >> On Monday, July 1, 2013, Tsjerk Wassenaar wrote: >> >> > Hi Ankita, >> > >> > The fie contains the eigenvectors as >> > >> > x1 y1 z1 >> > x2 y2 z2 >> > ... >> > xN yN zN >> > >> > Hope it helps, >> > >> > Tsjerk >> > >> > >> > On Mon, Jul 1, 2013 at 1:38 AM, Ankita naithani < >> ankitanaith...@gmail.com<javascript:;> >> > >wrote: >> > >> > > Hi, >> > > >> > > I wanted to know the exact format of covariance.dat file as generated >> by >> > > g_covar during covariance analysis. The file format mentioned in the >> > manual >> > > was not quite clear to understand. I need to use the matrix >> information n >> > > so needed to know how the data is stored. My matrix is for 1992 calpha >> > > atoms. >> > > >> > > It would be really helpful if someone could explain the file format. >> > > >> > > Kind regards, >> > > >> > > Ankita >> > > >> > > >> > > -- >> > > Ankita Naithani >> > > -- >> > > gmx-users mailing list gmx-users@gromacs.org <javascript:;> >> > > 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-requ...@gromacs.org<javascript:;> >> > . >> > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists >> > > >> > >> > >> > >> > -- >> > Tsjerk A. Wassenaar, Ph.D. >> > -- >> > gmx-users mailing list gmx-users@gromacs.org <javascript:;> >> > 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-requ...@gromacs.org<javascript:;>. >> > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists >> > >> >> >> -- >> Ankita Naithani >> -- >> gmx-users mailing list gmx-users@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-requ...@gromacs.org. >> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists >> > > > > -- > Tsjerk A. Wassenaar, Ph.D. > > -- Tsjerk A. Wassenaar, Ph.D. -- gmx-users mailing list gmx-users@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-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists