newanalysis.helpers.calcEnergyAAhisto1

newanalysis.helpers.calcEnergyAAhisto1(coor, coms, charges, apr, rfa, isolute, nmol, histo_min, histo_max, histo_bins, trehalose)

energy = calcEnergyAAhisto(xyz, coms, charges, atoms_per_residue, residue_first_atom, resnum_solute, nmolecules, min_histo, max_histo, bins_hist,array indices)

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