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Resolving test bug where Reference platform needs to be used.
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lvotapka committed Oct 27, 2023
1 parent c6c9872 commit 9a83715
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2 changes: 2 additions & 0 deletions seekr2/tests/test_run.py
Original file line number Diff line number Diff line change
Expand Up @@ -516,6 +516,8 @@ def test_run_planar(planar_mmvt_model):
check.check_post_simulation_all(planar_mmvt_model)

def test_run_rmsd(rmsd_mmvt_model):
rmsd_mmvt_model.openmm_settings.reference_platform = True
rmsd_mmvt_model.openmm_settings.cuda_platform_settings = None
check.check_pre_simulation_all(rmsd_mmvt_model)
run.run(rmsd_mmvt_model, "0", min_total_simulation_length=10,
force_overwrite=True)
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