[gmx-users] TRACE OF RMSD COMPARISON MATRIX
gauravgoeluta at gmail.com
Tue Jul 2 08:53:57 CEST 2013
Following link might be helpful:
Department of Chemical Engineering
Indian Institute of Technology, Delhi
Hauz Khas, New Delhi 110016
On 02-Jul-2013, at 10:45 AM, Richa Singh <richa.s.rathorerr at gmail.com> wrote:
> Hello users,
> I'm using g_rms to compare my actual trajectory obtained from
> simulation with the filtered trajectory (along given set of
> eigenvectors), this gives me an RMSD comparison matrix in xpm format
> where the values of the plot are not clear. Is there any way which can
> help me to get the values along the diagonal of the matrix?
> the command that i followed is:
> g_rms -s ref.tpr -f actual.xtc -f2 filtered.xtc -m rmsd.xpm
> I want to calculate the trace of the matrix basically.
> gmx-users mailing list gmx-users at gromacs.org
> * 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
More information about the gromacs.org_gmx-users