Commit 1f4451ec authored by Charlles Abreu's avatar Charlles Abreu
Browse files

Metadynamics force assigned to available force group with largest index

parent be9c2e25
...@@ -350,7 +350,8 @@ class WellTemperedMetadynamics(Metadynamics): ...@@ -350,7 +350,8 @@ class WellTemperedMetadynamics(Metadynamics):
else: else:
raise ValueError('Metadynamics requires 1, 2, or 3 collective variables') raise ValueError('Metadynamics requires 1, 2, or 3 collective variables')
self._force.addTabulatedFunction('table', self._table) self._force.addTabulatedFunction('table', self._table)
self._force.setForceGroup(31) freeGroups = set(range(32)) - set(force.getForceGroup() for force in system.getForces())
self._force.setForceGroup(max(freeGroups))
system.addForce(self._force) system.addForce(self._force)
self._syncWithDisk() self._syncWithDisk()
......
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