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Adding single point energy test #62

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hannahbaumann opened this issue Oct 7, 2024 · 0 comments
Open

Adding single point energy test #62

hannahbaumann opened this issue Oct 7, 2024 · 0 comments

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@hannahbaumann
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Add a test that checks that openMM and Gromacs give the same single point energy when using the same OpenMM system that is saved to Gromacs through Interchange. This test should already be present in Interchange, therefore not a high priority.

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