diff --git a/src/openfe/protocols/openmm_rfe/_rfe_utils/topologyhelpers.py b/src/openfe/protocols/openmm_rfe/_rfe_utils/topologyhelpers.py index 85d0657a9..40593ef10 100644 --- a/src/openfe/protocols/openmm_rfe/_rfe_utils/topologyhelpers.py +++ b/src/openfe/protocols/openmm_rfe/_rfe_utils/topologyhelpers.py @@ -265,7 +265,7 @@ def handle_alchemical_waters( "water parameters") raise ValueError(errmsg) - nbf.setParticleParameters(idx, 0.0, sigma, epsilon) + nbf.setParticleParameters(idx, 0.0, sigma, 0.0) def get_alchemical_waters(