Merge pull request #182 from OpenFreeEnergy/181-showcase-notebook-inc…

…orrectly-says-we-can-set-box-dimensions-via-the-chemicalsystem removing box vectors from 2.3
OpenFreeEnergy · Dec 4, 2024 · cf41975 · cf41975
2 parents dc61e8d + 9ab1197
commit cf41975
Showing 1 changed file with 2 additions and 7 deletions.
diff --git a/showcase/openfe_showcase.ipynb b/showcase/openfe_showcase.ipynb
@@ -1020,17 +1020,12 @@
     "along an alchemical network which are connected by edges which carry out\n",
     "calculations along Alchemical states to get free energies.\n",
     "\n",
-    "`ChemicalSystems` take in three different things:\n",
+    "`ChemicalSystems` take in:\n",
     "\n",
     "1. A dictionary of the chemical components (e.g. `SmallMoleculeComponent`,\n",
     "   `ProteinComponent`, `SolventComponent`) defining the system.\n",
     "\n",
-    "\n",
-    "2. Box vectors (optional), defining the shape and size of the unit cell of the\n",
-    "   system.\n",
-    "\n",
-    "\n",
-    "3. An identifier name (optional), for the `ChemicalSystem`. This is used as part\n",
+    "2. An identifier name (optional), for the `ChemicalSystem`. This is used as part\n",
     "   of the hash identifier of the `ChemicalSystem`, and can help distinguish between\n",
     "   otherwise comparable systems."
    ]