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)
......@@ -144,4 +144,4 @@ if options.test is None:
except Exception as ex:
print('Test failed: %s' % ex.message)
else:
runOneTest(options.test, options)
\ No newline at end of file
runOneTest(options.test, options)
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