Removed debugging code; culprit was deepcopy issues with openmm-dev
@@ -598,15 +598,7 @@ class AbsoluteAlchemicalFactory(object):
sterics_custom_nonbonded_force.addPerParticleParameter("epsilon") # Lennard-Jones epsilon
# Set parameters to match reference force.
- # DEBUG
- try:
sterics_custom_nonbonded_force.setUseSwitchingFunction(nonbonded_force.getUseSwitchingFunction())
- except Exception as e:
- s = str(nonbonded_force) + '\n'
- s += str(dir(nonbonded_force)) + '\n'
- s += nonbonded_force.__class__.__name__ + '\n'
- s += str(e) + '\n'
- raise Exception(s)
electrostatics_custom_nonbonded_force.setUseSwitchingFunction(False)
sterics_custom_nonbonded_force.setCutoffDistance(nonbonded_force.getCutoffDistance())
electrostatics_custom_nonbonded_force.setCutoffDistance(nonbonded_force.getCutoffDistance())
