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.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.