Hi everyone
I am interested in free energy calculation during molecules aggregation. For example, the several fullerene molecules aggregate  in 100 polycylic aromatic hydrocarbon (PAH) molecules. I want to calculate the free energy with umbrella sampling.I want to know which version of MS can achieve this goal? I know MS 7.0 can calculate solvent free energy.And I want to know which method does it use? If it uses the thermodynamic integration method.I have read a paper about use this method to calculate the free energy between fullerene and water, but I am not sure whether the thermodynamic integration method is suitable for my study.

Thanks in advance
Sincerely
Li