Module mbar_rs::mbar

Types and methods for computing the Multistate Bennet Acceptance Ratio method

Structs

DifferencesInExpectation	Expectations for a value expressed as differences between states
EntropyEnthalpy	Free energy differences decomposed into enthalpy and entropy
Expectations	Expectations for a value
ExpectationsParams	Parameters for computing expectation values
MBar	Multistate Bennett acceptance ratio method (MBAR) for the analysis of multiple equilibrium samples.
MBarBuilder	Builder for MBar.
Pmf	A Potential of Mean Force

Enums

ExpectationsUncertaintyMethod	Method to use to compute uncertainty for expectations
InitialFreeEnergies	Define the initial guess for free energies
PmfUncertainties	Method for reporting uncertainties for PMFs