[gmx-users] Coulomb LR

[ali.hassanali.1]

Dear Gromacs Users,

I am simulating a tri-peptide in water with 2 energy groups namely protein
and solvent. I am trying to calculate the energy contributions of both the
proteins and water individually but was having trouble dealing with
Coulomb LR. I am using PME with a shifted van der waal and the g_energy()
function gives the total Coulomb LR but not the individual contributions.
Is there an option that will allow me to do this or is there any
workaround to this?

Thanks

Ali