diff --git a/CHANGES b/CHANGES index 74d9b1d2..456fc115 100644 --- a/CHANGES +++ b/CHANGES @@ -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 diff --git a/src/alchemlyb/workflows/abfe.py b/src/alchemlyb/workflows/abfe.py index 25197020..736f51ac 100644 --- a/src/alchemlyb/workflows/abfe.py +++ b/src/alchemlyb/workflows/abfe.py @@ -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