Skip to content
Open
Show file tree
Hide file tree
Changes from all commits
Commits
File filter

Filter by extension

Filter by extension


Conversations
Failed to load comments.
Loading
Jump to
Jump to file
Failed to load files.
Loading
Diff view
Diff view
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

Large diffs are not rendered by default.

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

Large diffs are not rendered by default.

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

Large diffs are not rendered by default.

Loading
Loading