Uses of Class
ffx.numerics.estimator.MultistateBennettAcceptanceRatio
Packages that use MultistateBennettAcceptanceRatio
Package
Description
The Estimator package implements free energy estimators (e.g., Zwanzig, BAR/MBAR)
and related bootstrapping and reporting utilities.
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Uses of MultistateBennettAcceptanceRatio in ffx.algorithms.commands
Fields in ffx.algorithms.commands declared as MultistateBennettAcceptanceRatio -
Uses of MultistateBennettAcceptanceRatio in ffx.numerics.estimator
Methods in ffx.numerics.estimator that return MultistateBennettAcceptanceRatioModifier and TypeMethodDescriptionMultistateBennettAcceptanceRatio.copyEstimator()MBARFilter.getMBAR(MultistateBennettAcceptanceRatio.SeedType seedType) Create an MBAR instance with the given seed type.MBARFilter.getMBAR(MultistateBennettAcceptanceRatio.SeedType seedType, double tolerance) Create an MBAR instance with the given seed type and tolerance.MBARFilter.getPeriodComparisonMBAR(MultistateBennettAcceptanceRatio.SeedType seedType, double tolerance) 10% of the total samples at different time points.