[gmx-users] Long range energies

Mark Abraham Mark.Abraham at anu.edu.au
Thu Jan 18 23:33:25 CET 2007

Richard Vadnais wrote:
> hi all,
>     I want to find four types of energies from my simulation:  LJ and 
> Coulomb at long and short range. I use PME for coulomb type and cut-off 
> for VdW type with rlist = rcoulomb = 0.9
>    However, the LJ (LR) and Coulomb LR are not generated in the output 
> nor can I get them with g_energy.

That's because they aren't defined when rlist = rcoulomb. Have a read of 
the relevant manual sections.


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