[gmx-users] Re: COM of a molecule

Brad Van Oosten bv07ay at brocku.ca
Fri Aug 2 15:08:18 CEST 2013


If i understand the problem correctly, you can plot the com of any group of
atoms as a function of time with g_traj.  Create an index file of whatever
atoms you want using make_ndx then use g_traj with -com flag to plot com of
the group.



--
View this message in context: http://gromacs.5086.x6.nabble.com/COM-of-a-molecule-tp5010303p5010313.html
Sent from the GROMACS Users Forum mailing list archive at Nabble.com.



More information about the gromacs.org_gmx-users mailing list