[gmx-users] Re: how to calculate the force between two groups (Mark Abraham)

Tom dnaafm at gmail.com
Mon Oct 31 19:40:02 CET 2011

Thanks Mark!

It was actually what I did.
mdrun -rerun  with well-chosen energy group exclusions only gives the
between certain pairs of group, not the forces.

g_traj gives the overall forces not the force between certain pair.

Thanks a lot for any further idea to obtain the force for certain pair of


On 31/10/2011 4:05 AM, Tom wrote:
> 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
> the forces from different groups.
> Is there any cunning way to do it.
mdrun -rerun  with well-chosen energy group exclusions probably works
for you.

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