newanalysis.helpers.calcEnergyAApermind

newanalysis.helpers.calcEnergyAApermind(coor, coms, charges, apr, rfa, isolute, first, last, drude)

energy = calcEnergyAA(xyz, coms, charges, atoms_per_residue, residue_first_atom, resnum_solute, resnum_from, resnum_to, drude_list)

Calculates the permanent and induced part of the solvation energy of a solute in any solvent for a specific coordinate set.