Hi, > You should be getting such a 2200x33 matrix. My guess is that the > command line or files that you're using are not what you think they > are :-) my command line is
g_rms -f 2200.pdb -f2 33.pdb -s ref.pdb -n -o -m -bin Note that the pdbs (traj and ref) have the same number of atoms (same structure). During the calculation i can see that it is creating the 2200x33 matrix, but on the rmsd.xvg i find only two columns. From the xpm and dat files i can't extract the matrix (i don't know) to a text file. I hope this could clarify better my question Thanks Andrea _______________________________________________ gmx-users mailing list [email protected] http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/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/mailing_lists/users.php
