OpenFreeEnergy · hannahbaumann · Feb 6, 2026 · Feb 6, 2026
diff --git a/environment.yaml b/environment.yaml
@@ -13,5 +13,6 @@ dependencies:
   - pytest-cov
   - pytest-xdist
   - python
-  - gufe >=1.7.0, <1.8.0
-  - openfe==1.8.0
+  - pip:
+    - git+https://github.com/OpenFreeEnergy/gufe@membrane_prototype
+    - git+https://github.com/OpenFreeEnergy/openfe@membrane_prototype
diff --git a/openmm_rbfe/a2a/a2a_complex.pdb b/openmm_rbfe/a2a/a2a_complex.pdb
diff --git a/openmm_rbfe/a2a/a2a_lipids.pdb b/openmm_rbfe/a2a/a2a_lipids.pdb
diff --git a/openmm_rbfe/a2a/a2a_maestro.pdb b/openmm_rbfe/a2a/a2a_maestro.pdb
diff --git a/openmm_rbfe/a2a/a2a_protein.pdb b/openmm_rbfe/a2a/a2a_protein.pdb
diff --git a/openmm_rbfe/a2a/a2a_water.pdb b/openmm_rbfe/a2a/a2a_water.pdb
diff --git a/openmm_rbfe/a2a/ligands_am1bcc.sdf b/openmm_rbfe/a2a/ligands_am1bcc.sdf