On Mon, Jan 23, 2012 at 9:56 PM, Víctor <victor.gil.sepulv...@gmail.com> wrote: > Dear all, > > I've been trying to do a rmsd matrix of two different trajectories by using > g_rms (with -f traj1 and -f2 traj2). I'm wondering if the algorithm g_rms > uses does something like this: > > for each frame f1 in traj1: > for each frame f2 in traj2: > superimpose f1 , f2 > calculateRMSD f1, f2 > > Or like this (as I've seen in some other rmsd matrix calculation scripts): > > 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 > > I've also been trying to convert the resulting xpm file to a readable file
BTW, xpm file is readable. try: more xpm or other tools your preferred to read. > 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. > > Thanks! > > -- > > Víctor Gil Sepúlveda > E. Informatica - FIB - UPC > > -- > 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 -- 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
