[gmx-users] Long range energies
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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