openmmtools.multistate.ReplicaExchangeAnalyzer ============================================== .. currentmodule:: openmmtools.multistate .. autoclass:: ReplicaExchangeAnalyzer .. automethod:: __init__ .. rubric:: Methods .. autosummary:: ~ReplicaExchangeAnalyzer.__init__ ~ReplicaExchangeAnalyzer.clear ~ReplicaExchangeAnalyzer.generate_mixing_statistics ~ReplicaExchangeAnalyzer.get_effective_energy_timeseries ~ReplicaExchangeAnalyzer.get_enthalpy ~ReplicaExchangeAnalyzer.get_entropy ~ReplicaExchangeAnalyzer.get_free_energy ~ReplicaExchangeAnalyzer.read_energies ~ReplicaExchangeAnalyzer.read_logZ ~ReplicaExchangeAnalyzer.read_log_weights ~ReplicaExchangeAnalyzer.reformat_energies_for_mbar ~ReplicaExchangeAnalyzer.show_mixing_statistics .. rubric:: Attributes .. autosummary:: ~ReplicaExchangeAnalyzer.has_log_weights ~ReplicaExchangeAnalyzer.kT ~ReplicaExchangeAnalyzer.max_n_iterations ~ReplicaExchangeAnalyzer.mbar ~ReplicaExchangeAnalyzer.n_equilibration_iterations ~ReplicaExchangeAnalyzer.n_iterations ~ReplicaExchangeAnalyzer.n_replicas ~ReplicaExchangeAnalyzer.n_states ~ReplicaExchangeAnalyzer.name ~ReplicaExchangeAnalyzer.observables ~ReplicaExchangeAnalyzer.reference_states ~ReplicaExchangeAnalyzer.reporter ~ReplicaExchangeAnalyzer.restraint_distance_cutoff ~ReplicaExchangeAnalyzer.restraint_energy_cutoff ~ReplicaExchangeAnalyzer.statistical_inefficiency ~ReplicaExchangeAnalyzer.unbias_restraint ~ReplicaExchangeAnalyzer.use_full_trajectory ~ReplicaExchangeAnalyzer.use_online_data