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update
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xiki-tempula committed Jun 6, 2023
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2 changes: 1 addition & 1 deletion CHANGES
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Expand Up @@ -31,7 +31,7 @@ Fixes

DeprecationWarning
- The default MBAR error estimator in workflow.ABFE.estimate will change from
analytic to bootstrap=50 (issue #320, PR#322).
analytic to bootstrap=50 in 2.2.0 (issue #320, PR#322).


06/04/2023 xiki-tempula
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2 changes: 1 addition & 1 deletion src/alchemlyb/workflows/abfe.py
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Expand Up @@ -404,7 +404,7 @@ def estimate(self, estimators=("MBAR", "BAR", "TI"), **kwargs):
no unit conversion has been attempted.
.. versionchanged:: 2.1.0
DeprecationWarning for using analytic error for MBAR estimator.
DeprecationWarning for using analytic error for MBAR estimator.
"""
# Make estimators into a tuple
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