Commit 591c5f92 authored by Peter Eastman's avatar Peter Eastman
Browse files

Fixed bug in testInstallation script

parent 7dfc3aea
...@@ -26,7 +26,7 @@ for i in range(numPlatforms): ...@@ -26,7 +26,7 @@ for i in range(numPlatforms):
platform = Platform.getPlatform(i) platform = Platform.getPlatform(i)
print i, platform.getName(), print i, platform.getName(),
integrator = LangevinIntegrator(300*kelvin, 1/picosecond, 0.002*picoseconds) integrator = LangevinIntegrator(300*kelvin, 1/picosecond, 0.002*picoseconds)
simulation = Simulation(pdb.topology, system, integrator) simulation = Simulation(pdb.topology, system, integrator, platform)
simulation.context.setPositions(pdb.positions) simulation.context.setPositions(pdb.positions)
try: try:
forces[i] = simulation.context.getState(getForces=True).getForces() forces[i] = simulation.context.getState(getForces=True).getForces()
......
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