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5 changes: 3 additions & 2 deletions environment.yaml
Original file line number Diff line number Diff line change
Expand Up @@ -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
23,465 changes: 23,465 additions & 0 deletions openmm_rbfe/a2a/a2a_lipids.pdb

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4,657 changes: 4,657 additions & 0 deletions openmm_rbfe/a2a/a2a_protein.pdb

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46,698 changes: 46,698 additions & 0 deletions openmm_rbfe/a2a/a2a_water.pdb

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