|
Hi everyone, quick question about g_msd, When I execute: g_msd -f FullMD1.trr -s FullMD1.tpr -n ForDiffusion.ndx -o test -lateral z At the end, the following is outputted in my terminal: D[ Protein] 0.1207 (+/- 0.0847) 1e-5 cm^2/s My index file only contains one group, labeled Protein. So is this number, 0.1207, the MSD of the entire group Protein? Or is this the average (over the atoms) MSD in the group Protein? (I think the latter is the case, b/c in the manual, it's stated that g_msd computes the MSD of atoms . . . just double-checking). Thanks much, Arneh |
_______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users 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
