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This commit is contained in:
Alyssa Travitz
2025-11-11 17:12:41 -07:00
parent 5a5df90060
commit 8780ddcf4d
2 changed files with 2 additions and 1 deletions
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1
openfe/protocols/openmm_rfe/_rfe_utils/relative.py
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@@ -5,6 +5,7 @@
# turn off formatting since this is mostly vendored code
# fmt: off
# ruff: noqa: F841 # TODO: address these
import copy
import itertools

2
openfe/protocols/openmm_rfe/equil_rfe_methods.py
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@@ -801,7 +801,7 @@ class RelativeHybridTopologyProtocolUnit(gufe.ProtocolUnit):
"protocol"
].settings
stateA = self._inputs["stateA"]
stateB = self._inputs["stateB"]
# stateB = self._inputs["stateB"] # TODO: do we need this?
mapping = self._inputs["ligandmapping"]
forcefield_settings: settings.OpenMMSystemGeneratorFFSettings = (