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clearAll()
getDisplayProperties().selectModel(MODEL_STICK)
getDisplayProperties().selectColoringMethod(COLORING_ELEMENT)
setMultithreading(0)
openFile(Path().find("structures/bpti.pdb"))
getMolecularStructure().addHydrogens()
getScene().enterDualStereo()
system = getSystem(0)
ff = getForceField()
ff.setup(system)
mds = CanonicalMD()
ssm = SnapShotManager()
mds.setup(ff, ssm)
mds.setTimeStep(0.001)
counter = 0
limit = 60
setMultithreading(1)
while counter < limit and not getPyWidget().toAbortScript():
mds.simulateIterations(1)
getMainControl().update(system)
limit = limit + 1
getMainControl().processEvents(2000)
getScene().exitStereo()
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