Just use Amber's Packmol

mattwthompson · mattwthompson · commit f0071c4c4509 · 2026-05-27T08:55:30.000-05:00
diff --git a/devtools/conda-envs/test_env.yaml b/devtools/conda-envs/test_env.yaml
@@ -19,7 +19,7 @@ dependencies:
   - openff-toolkit
   - openff-interchange >=0.5.1
   - ambertools
-  - packmol >=20
+  # packmol >=20
   - openmm
   - pymbar
   - dask >=2.7.0
