Commit aae25fd9 authored by Peter's avatar Peter
Browse files

Bug fix to benchmarking script

parent be0b1ae3
......@@ -92,7 +92,7 @@ def runOneTest(testName, options):
# Run the simulation.
integ = mm.LangevinIntegrator(300*unit.kelvin, 91*(1/unit.picoseconds), dt*unit.femtoseconds)
integ = mm.LangevinIntegrator(300*unit.kelvin, 91*(1/unit.picoseconds), dt)
integ.setConstraintTolerance(1e-5)
if len(properties) > 0:
context = mm.Context(system, integ, platform, properties)
......
Markdown is supported
0% or .
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment