MBAR_var_CPU.py uses pickle files in the pickles directory in order to automatically set up MBAR objects and make estimates of H_vap and molar volumes based on two reference simulations.
All of the observalbes have already been subsampled. The u_kn and E_kn matrices already reflect pressure contributions (i.e. they are reduced and unreduced enthalpies already). Simply call python MBAR_car_CPU.py to run.