[gmx-users] Dumping of energies

[andersle at stud.ntnu.no]

Dear all,

I wonder if there is some way in gromacs to dump the potential energy  
(or internal energy) of each particle to the disk during a simulation.
That is, something similar to the dumping of the positions, velocities  
and forces of the individual particles.

Is there a way to do this out of the box in gromacs?
Or has anyone done this by modifying the source?

Best Wishes
Anders