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Add MD protocol integration test #41

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Tracked by #46
IAlibay opened this issue Sep 24, 2024 · 0 comments · May be fixed by #46
Open
Tracked by #46

Add MD protocol integration test #41

IAlibay opened this issue Sep 24, 2024 · 0 comments · May be fixed by #46
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@hannahbaumann
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MVP

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@IAlibay
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IAlibay commented Sep 24, 2024

Add a full end-to-end integration test (tagged as slow / don't run on standard CI) which does a full protein-ligand complex simulation for a couple of steps.
@hannahbaumann hannahbaumann added this to the MVP milestone Sep 24, 2024
@hannahbaumann hannahbaumann linked a pull request Sep 26, 2024 that will close this issue
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@hannahbaumann hannahbaumann linked a pull request Sep 26, 2024 that will close this issue
Add gather and integration test #46
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@hannahbaumann hannahbaumann self-assigned this Sep 26, 2024
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Add gather and integration test OpenFreeEnergy/openfe-gromacs
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