Using g_msd on a group of atoms results in an msd vs. time plot which is
the result of an average over all the atoms' motions. I would like to
obtain the same plot, but for an average over the center of mass motions
of a group of molecules. Using the -mol option results in a plot of the
diffusion coefficient for each individual molecule. Do I need to use
the -mw option for each molecule seperately and then average them
together myself? Thank you for any ideas.
--Mike Skaug
_______________________________________________
gmx-users mailing list gmx-users@gromacs.org
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