I've having some problems with use of the option '-fitall'. The command I'm using is: g_rms -hidden -fitall -s ../topol_amber.tpr -f ../amber99sb_skip10.xtc -f2 ../amber99sb_skip10.xtc -m rmsd.xpm
But a diff with the rmsd.xpm file I got without using '-fitall' reveals that the files are identical. Furthermore, the rmsd.xpm file represents a non-symetric matrix, which is not what I expected... Anyone has a clue of what's happening? Thanks in advance, Víctor -- 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