[joe900]

I optimized the structures using Turbomole and calculated binding energy of complex (encapsulated drug in cyclodextrin) :
Binding energy = (complex total energy) - [ (cyclodextrin energy) + (guest energy) ]
and I have to compare it with some experimental data, but all that I can find is not "biding energy" but "binding FREE energy". The results I otained I think are binding energies (not FREE energies). What is tehe difference between those two energies?