change default collision rate
@@ -1014,7 +1014,7 @@ class LangevinSplittingIntegrator(ThermostatedIntegrator):
def __init__(self,
splitting="V R O R V",
temperature=298.0 * simtk.unit.kelvin,
- collision_rate=91.0 / simtk.unit.picoseconds,
+ collision_rate=1.0 / simtk.unit.picoseconds,
timestep=1.0 * simtk.unit.femtoseconds,
constraint_tolerance=1e-8,
override_splitting_checks=False,
@@ -1411,7 +1411,7 @@ class AlchemicalLangevinSplittingIntegrator(LangevinSplittingIntegrator):
alchemical_functions,
splitting="V R O R V",
temperature=298.0 * simtk.unit.kelvin,
- collision_rate=91.0 / simtk.unit.picoseconds,
+ collision_rate=1.0 / simtk.unit.picoseconds,
timestep=1.0 * simtk.unit.femtoseconds,
constraint_tolerance=1e-8,
override_splitting_checks=False,
