[gmx-users] Dumping of energies

andersle at stud.ntnu.no andersle at stud.ntnu.no
Tue Mar 4 12:48:23 CET 2008

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

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