Instance the repex SimulationNaNError
@@ -2101,7 +2101,7 @@ class ReplicaExchange(object):
prefix = 'nan-error-logs/iteration{}-replica{}-state{}'.format(
self._iteration, replica_id, thermodynamic_state_id)
e.serialize_error(prefix)
- raise utils.SimulationNaNError
+ raise utils.SimulationNaNError()
# Return new positions and box vectors.
return sampler_state.positions, sampler_state.box_vectors
