Change default lambda_restraints to 1.0
@@ -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
