[gmx-users] how to calculate the force between two groups

Tom dnaafm at gmail.com
Sun Oct 30 18:05:41 CET 2011


Dear Gromacs Users,

I have a question about how to ouput the force between two groups.

Suppose the system consists of the groups: A, B, C and D.
I need the force only between the groups A and B.

g_traj looks only to be able to report the overal forces and cann not distiguish
the forces from different groups.

Is there any cunning way to do it.

Thanks,

Tom



More information about the gromacs.org_gmx-users mailing list