Thanks Mark! It was actually what I did. mdrun -rerun with well-chosen energy group exclusions only gives the energy 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 groups! Tom 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 distiguish > 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. Mark
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