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Ensure all Forces have identical exclusions so that perses can run on all OpenMM platforms

See original GitHub issue

When the hybrid system is used to create a context, it sometimes throws the following exception

/Users/grinawap/anaconda/lib/python3.5/site-packages/simtk/openmm/openmm.py in __init__(self, *args)
   6267             a set of values for platform-specific properties. Keys are the property names.
   6268         """
-> 6269         this = _openmm.new_Context(*args)
   6270         try:
   6271             self.this.append(this)

Exception: All Forces must have identical exclusions

Issue Analytics

State:
Created 6 years ago
Comments:21 (21 by maintainers)

Top GitHub Comments

1reaction

jchoderacommented, Aug 15, 2017

Maybe that’s something I should address when I move this to openmmtools.alchemy rather than something you should address now.

0reactions

pgrinawaycommented, Aug 15, 2017

SGTM

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