Irfan Alibay c81d27cf0d Add Analysis unit for Septop (#1937) ...

* 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>

2026-04-24 10:00:06 +01:00

..

analysis-septop.rst

Add Analysis unit for Septop (#1937)

2026-04-24 10:00:06 +01:00

fix-setup-messages.rst

fix prepare message for RFE (#1915)

2026-04-08 21:04:15 +01:00

issue-1913.rst

Only warn if forces mismatch in hash check (#1914)

2026-04-22 18:21:59 +01:00

membrane.rst

Add membrane support to OpenFE Protocols (#1561)

2026-04-16 19:06:11 +01:00

TEMPLATE.rst

added changelog entry and template

2024-02-16 10:39:20 +00:00

validate-septop.rst

Add validate method for SepTop (#1946)

2026-04-17 15:45:33 +01:00