[gmx-users] monitor energy

[Erik Lindahl]

qiao rui wrote:
> Thanks Gerrit for the response. I checked out the energy group option and
> it reports the LJ, Coul-SR and Coul-LR. 
> 
> I guess the SR/LR is not splitted by the real space of k-space. Perhaps it
> is for the reaction-field method when handling the electrostatic? I notice
> that the Coul-LR are exactly zero in my simulation as reported by Gromacs.
> 
> - Rui
> 

The problem is that it isn't trivial (or rather, it would be very, very 
slow) to separate the PME energy into group contributions. We're working 
on it, though :-)

Cheers,

Erik