Dear Gromacs Users!
I'm working with the enssemble of the MD trajectories calculated for the common protein with the differences in the initial conditions in the case of each trajectory. Now I'd like to perform analysis of that enssemble of data. For example I'de like to obtain RMSD as well as RMSF graphs calculated from all trajectories in one common graph for comparison of the dynamics of the systems. I've used trjcat on my 4 trajectories to obtain one merged trajectory multi.xtc and than tried to calculate RMSD for that multi.xtc but the resulted graph was wrong. trjcat -f md_150ns.xtc md_320ns.xtc sd_125.xtc sd_75ns.xtc -cat -tu ps -o multi.xtc Is there any other way to do such analysis of several trajectories in common graph? James -- 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
