[gmx-users] how to calculate the force between two groups
Mark.Abraham at anu.edu.au
Mon Oct 31 10:18:51 CET 2011
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
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