Change defaults to "what works" for gufe bindings

OpenFreeEnergy · Nov 14, 2023 · b71170c · b71170c
1 parent 4b1f092
commit b71170c
Showing 1 changed file with 2 additions and 2 deletions.
diff --git a/lomap/gufe_bindings/mapper.py b/lomap/gufe_bindings/mapper.py
@@ -19,8 +19,8 @@ class LomapAtomMapper(AtomMapper):
     shift: bool
 
     def __init__(self, *, time: int = 20, threed: bool = True,
-                 max3d: float = 1000.0, element_change: bool = True,
-                 seed: str = '', shift: bool = True):
+                 max3d: float = 1.0, element_change: bool = True,
+                 seed: str = '', shift: bool = False):
         """Wraps the MCS atom mapper from Lomap.
 
         Kwargs are passed directly to the MCS class from Lomap for each mapping