Hi Mark, It does seem that the -all option averages the distributions. The thing is i was confused with "the first graph is the average, the rest are the individual angles." because when i tried it previously i only found 2 columns which were angle and distribution.
But now i checked again explicitly by doing few more g_angle commands and it seems that -all does do what i wanted to do. I still dont know what the "rest are the individual angles" means. Thank you, Amit On Tue, Dec 1, 2009 at 6:52 PM, Mark Abraham <mark.abra...@anu.edu.au>wrote: > Amit Choubey wrote: > >> Hi everyone, >> >> I am trying to analyze dihedrals of molecules after a simulation. I am >> able to calculate dihedral distribution at ant particular time using g >> -angle and proper group using >> >> g_angle -f after_md.trr -b 800 -type dihedral -n chain1.ndx -od dihed12 >> >> This gives me the distribution at t=800 ps . What i really want is to see >> the dihedral distribution at all time steps (after 800 ps) in one go, and >> may be do some averaging later. Is there a straight forward way to do this. >> I can imagine that i could write a script file that could do this but then i >> dont want to deal with a lot of files, i rather want everything to be saved >> in a single file with multiple columns. Could someone suggest a trick for >> this? >> > > The first paragraph of g_angle -h suggests there's an option where "the > first graph is the average, the rest are the individual angles." Does this > work? > > > Mark > -- > 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/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/mailing_lists/users.php >
-- 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/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/mailing_lists/users.php