In the TrimerTrip case, participants also found evidence that binding free energies may be more accurate if different potential host conformations are considered, especially for bulkier guests such as those with adamantane moieties. This exploration of sensitivity to host conformation also provided insight into modeling the host's flexibility; participants found binding free energies to be sensitive to the geometry of the triptycene rings . Our reference calculations showed poor sampling of interconversion between alchemical states in our simulations, despite use of Hamiltonian Replica Exchange.