Hi Victor, By default it does this:
> for each frame f in traj1: > superimpose f with first frame > > for each frame f1 in traj1: > for each frame f2 in traj2: > calculateRMSD f1, f2 But there's a hidden option -fitall that gives you the other. Check g_rms -h -hidden > I've also been trying to convert the resulting xpm file to a readable file > in order to process it using python. Is there any tool to do this kind of > conversion?(Btw I've been trying to find this kind of tool with not much > luck). There's enough info on the file to be able to parse it easily, but > using a 3rd party tested tool would be more convenient. I posted a python script some while ago to do: http://lists.gromacs.org/pipermail/gmx-users/2010-October/054557.html Hope it helps, Tsjerk -- 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 [email protected] 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 [email protected]. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
