The first-order configurational entropies for ligands were calculated using 19 dihedral angles for cQ and fQ, and 17 for cV and fV, while those for binding site residues were calculated using 49 dihedral angles (see previous subsection). Then, the relative ligand entropies and the relative binding entropies were calculated using combinations of quarter and half subsets of the frames from the total combined simulations (Runs A and B). Thus, for the quarter subsets, we obtained 16 estimates of the relative entropies, and for the half subsets, 4 estimates of the relative entropies. The averages and standard deviations of these estimates are plotted in Figures and.