where the terms involving the energy E X are force field terms from bonded, electrostatic and van der Waals interactions, respectively. The terms G pol and G np are, respectively, the polar and non-polar contributions to the solvation free energies. In this work, G pol is obtained by solving the generalized born (GB) model (igb=5 ). The non-polar term, G np , is estimated from the solvent accessible surface area. The final term is computed from the temperature T and an entropy correction computed from a normal mode 62 analysis on all frames. Contrary to other studies where the entropy term can be neglected, the change in entropy is expected to be quite significant for inclusion complexes involving cyclodextrin.