newanalysis.helpers.calcDipDipEnergyAtomic

newanalysis.helpers.calcDipDipEnergyAtomic(coms, dipol, isolute, nmol, exclude_begin=-1, exclude_end=-1)

energy = calcDipDipEnergyAtomic(coms, dipol, resnum_solute, nmolecules)

Calculates the atom-resolved solvation dipol-dipol energy of a solute in any solvent for a specific coordinate set.