Hi Patrick, You can extract the diagonal from the covariance matrix generated with g_covar (-ascii). That is equal to the RMSF per atom-coordinate.
Cheers, Tsjerk On Wed, Mar 28, 2012 at 10:32 PM, patrick wintrode <pat_w...@yahoo.com>wrote: > Does some one know of a way to get g_rms or g_rmsf to write out the x, y, > and z components of the rms(f) for each atom/residue separately? > > Thanks. > > Patrick L. Wintrode > Department of Pharmaceutical Sciences > University of Maryland > > -- > 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. post-doctoral researcher Molecular Dynamics Group * Groningen Institute for Biomolecular Research and Biotechnology * Zernike Institute for Advanced Materials University of Groningen The Netherlands
-- 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
