Removed double call to addUpdateContextState() in  NonequilibriumLangevinIntegrator and ExternalPerturbationLangevinIntegrator.
@@ -1454,10 +1454,6 @@ class NonequilibriumLangevinIntegrator(LangevinIntegrator):
Override the base class to insert reset steps around the integrator.
"""
- # Integrate
- self.addUpdateContextState()
- self.addComputeTemperatureDependentConstants({"sigma": "sqrt(kT/m)"})
-
#if the step is zero,
self.beginIfBlock('step = 0')
self.addConstrainPositions()
@@ -1576,9 +1572,6 @@ class ExternalPerturbationLangevinIntegrator(LangevinIntegrator):
self.addComputeGlobal("protocol_work", "protocol_work + (perturbed_pe - unperturbed_pe)")
# Computing context updates, such as from the barostat, _after_ computing protocol work.
- self.addUpdateContextState()
- self.addComputeTemperatureDependentConstants({"sigma": "sqrt(kT/m)"})
-
super(ExternalPerturbationLangevinIntegrator, self).add_integrator_steps(splitting, measure_shadow_work, measure_heat, ORV_counts, force_group_nV, mts)
self.addComputeGlobal("unperturbed_pe", "energy")
