Call begin_metropolize()
@@ -1165,8 +1165,7 @@ class LangevinSplittingIntegrator(ThermostatedIntegrator):
elif step_string == "R":
self.R_step(measure_shadow_work, n_R)
elif step_string == "{":
- self.addComputePerDof("xold", "x")
- self.addComputePerDof("vold", "v")
+ self.begin_metropolize()
elif step_string == "}":
self.metropolize()
elif step_string[0] == "V":
@@ -1439,8 +1438,7 @@ class AlchemicalLangevinSplittingIntegrator(LangevinSplittingIntegrator):
elif step_string == "R":
self.R_step(measure_shadow_work, n_R)
elif step_string == "{":
- self.addComputePerDof("xold", "x")
- self.addComputePerDof("vold", "v")
+ self.begin_metropolize()
elif step_string == "}":
self.metropolize()
elif step_string[0] == "V":
