Change default lambda_restraints to 1.0

choderalab · Nov 15, 2016 · 1beb783 · 1beb783
1 parent 22c7621
commit 1beb783
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/alchemy/alchemy.py b/alchemy/alchemy.py
@@ -141,7 +141,7 @@ class AlchemicalState(dict):
 
     """
     def __init__(self, **kwargs):
-        self['lambda_restraints'] = 0.0
+        self['lambda_restraints'] = 1.0
         self['lambda_electrostatics'] = 1.0
         self['lambda_sterics'] = 1.0
         self['lambda_torsions'] = 1.0