diff --git a/openmmtools/alchemy/alchemy.py b/openmmtools/alchemy/alchemy.py index 43aa4a1c..093e907d 100644 --- a/openmmtools/alchemy/alchemy.py +++ b/openmmtools/alchemy/alchemy.py @@ -516,7 +516,7 @@ class AbsoluteAlchemicalFactory(object): switch_width : float, optional, default = 1.0 * angstroms Default switch width for electrostatics in periodic cutoff systems used in alchemical interactions only. - alchemical_pme_treatment : str, optional, default = 'direct-space' + alchemical_pme_treatment : str, optional, default = 'exact' Controls how alchemical region electrostatics are treated when PME is used. Options are ['direct-space', 'coulomb', 'exact']. - 'direct-space' only models the direct space contribution