remove dead lines in test + keep topology in openmm if we can #985
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Looks good. In the future, when designing the API, we will probably want to make sure both cases use the mdtraj topology OR both use the openmm topology (like mentioned in case 2 here) |
zhang-ivy
approved these changes
Apr 22, 2022
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Description
Fix issue with GPU tests where we didn't handle solvated topologies correctly.
Motivation and context
See #975
Resolves 975
How has this been tested?
@ijpulidos can you test this locally on a GPU? Right now my laptop graphics drivers are borked
Change log