[gmx-users] MSD

Maryam Kowsar maryam.kowsar at gmail.com
Fri Jan 27 18:00:50 CET 2017

Dear all

I want to calculate the MSD of a group of molecules in my system. In the
.mdp file, xtc_grps is set for this group only. When I use g_msd - n  -f
 -o (-mol does not work) and select the mentioned group, it stops after a
while in the 2000th frame. Is there anything wrong with the simulation,
.mdp or command?

More information about the gromacs.org_gmx-users mailing list