newanalysis.helpers.calcEnergyMuA

newanalysis.helpers.calcEnergyMuA(coor, charges, apr, rfa, isolute, nmol, mu_solute)

energy = calcEnergyMuA(xyz, charges, atoms_per_residue, residue_first_atom, resnum_solute, nmolecules,mu_solute)

Calculates the solvation energy of a solute in any solvent for a specific coordinate set.