Merge branch 'master' of https://github.com/leeping/openmm

7bb2bb89 · Lee-Ping Wang · 72726466 · a85d163b · 7bb2bb89
Commit 7bb2bb89 authored Jul 15, 2013 by Lee-Ping Wang
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wrappers/python/simtk/openmm/app/modeller.py wrappers/python/simtk/openmm/app/modeller.py +3 -1

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--- a/wrappers/python/simtk/openmm/app/modeller.py
+++ b/wrappers/python/simtk/openmm/app/modeller.py
@@ -757,7 +757,9 @@ class Modeller(object):
            if atoms[i].element != elem.hydrogen:
                # This is a heavy atom, so make it immobile.
                system.setParticleMass(i, 0)
-        context = Context(system, VerletIntegrator(0.0))
+        from simtk.openmm import Platform
+        plt = Platform.getPlatformByName('Reference')
+        context = Context(system, VerletIntegrator(0.0), plt)
        context.setPositions(newPositions)
        LocalEnergyMinimizer.minimize(context)
        self.topology = newTopology