Skip to content

Commit

Permalink
fix hack on RelativeAlchemicalNetworkPlanner
Browse files Browse the repository at this point in the history
can't modify a frozen settings object and copy.deepcopy won't unfreeze it
  • Loading branch information
richardjgowers committed Jan 30, 2024
1 parent 16f9b94 commit 980199c
Showing 1 changed file with 1 addition and 1 deletion.
Original file line number Diff line number Diff line change
Expand Up @@ -207,7 +207,7 @@ def _build_transformation(
transformation_name = self.name + "_" + stateA.name + "_" + stateB.name

# Todo: Another dirty hack! - START
protocol_settings = copy.deepcopy(transformation_protocol.settings)
protocol_settings = transformation_protocol.settings.unfrozen_copy()
if "vacuum" in transformation_name:
protocol_settings.system_settings.nonbonded_method = "nocutoff"

Expand Down

0 comments on commit 980199c

Please sign in to comment.