SimTK: OpenMM: [#2215] context.getState(enforcePeriodicBox=True) broken for triclinic cells

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Date:
2015-11-02 17:50

Priority:
3

State:
Open

Submitted by:
Jason Swails (jswails1)

Assigned to:
Nobody (None)

Resolution:
none

Summary:
context.getState(enforcePeriodicBox=True) broken for triclinic cells

Detailed description
context.getState(enforcePeriodicBox=True) does not work correctly for non-orthogonal unit cells. This bug exists in OpenMM 6.3, but has been fixed in Github (https://github.com/pandegroup/openmm/pull/1234)
context.getState(enforcePeriodicBox=True) does not work correctly for non-orthogonal unit cells. This bug exists in OpenMM 6.3, but has been fixed in Github (https://github.com/pandegroup/openmm/pull/1234)

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