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alchemlyb.estimators.BAR.rst

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BAR

The ~alchemlyb.estimators.BAR estimator is a light wrapper around the implementation of the Bennett Acceptance Ratio (BAR) method from pymbar (pymbar.mbar.BAR). It uses information from neighboring sampled states to generate an estimate for the free energy difference between these state.

alchemlyb.estimators.MBAR

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alchemlyb.estimators.BAR