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Probing the convergence properties of the simulation

We can assess convergence of the free energy calculation by monitoring the time-evolution
of ∆G(¦Ë) for every individual ¦Ë-state and the overlap of configurational ensembles embod-
ied in their density of states, P0 [∆U (x)] and P1 [∆U (x)], where ∆U (x) = U1 (x) − U0 (x)
denotes the difference in the potential energy between the target and the reference states.



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