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* Add an Analysis unit to SepTopProtocol. * Update PDB writing via MDTraj in AFE and SepTop Protocols to account for box dimensions with mdtraj_from_openmm utility. * Split up some SepTop tests into different files. * Updated the CLI gathering to account for post openfe v1.11 Analysis units --------- Co-authored-by: Hannah Baumann <43765638+hannahbaumann@users.noreply.github.com>
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28 lines
449 B
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**Added:**
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* <news item>
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**Changed:**
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* The SepTopProtocol now has a dedicated Analysis unit.
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At the top level API, this does not change behaviour, but
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if you are directly interfacing with the ProtocolUnits, you
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will have to account for this change. The SepTopProtocolResult now
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solely uses the Analysis units. PR #1937
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**Deprecated:**
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**Removed:**
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**Fixed:**
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**Security:**
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