Thanks Mark!<br><br>It was actually what I did. <br>mdrun -rerun with well-chosen energy group exclusions only gives the energy <br>between certain pairs of group, not the forces.<br><br>g_traj gives the overall forces not the force between certain pair.<br>
<br>Thanks a lot for any further idea to obtain the force for certain pair of groups!<br><br>Tom<br> <br>On 31/10/2011 4:05 AM, Tom wrote:<br>
> Dear Gromacs Users,<br>
><br>
> I have a question about how to ouput the force between two groups.<br>
><br>
> Suppose the system consists of the groups: A, B, C and D.<br>
> I need the force only between the groups A and B.<br>
><br>
> g_traj looks only to be able to report the overal forces and cann not distiguish<br>
> the forces from different groups.<br>
><br>
> Is there any cunning way to do it.<br>
><br>
mdrun -rerun with well-chosen energy group exclusions probably works<br>
for you.<br>
<br>
Mark