grammatical fixes from review

OpenFreeEnergy · Oct 15, 2024 · 24582ce · 24582ce
1 parent 206dbc7
commit 24582ce
Showing 1 changed file with 3 additions and 3 deletions.
diff --git a/showcase/openfe_showcase.ipynb b/showcase/openfe_showcase.ipynb
@@ -185,7 +185,7 @@
     "from rdkit.Chem import AllChem\n",
     "from rdkit.Chem import Draw\n",
     "\n",
-    "# Extract the content of the sdf file and visualise it\n",
+    "# Extract the contents of the sdf file and visualise it\n",
     "ligands_rdmol = [mol for mol in\n",
     "                 Chem.SDMolSupplier('inputs/tyk2_ligands.sdf', removeHs=False)]\n",
     "\n",
@@ -216,8 +216,8 @@
     "| Create ligand topologies       | OpenFE interface - OpenFF tk                             |\n",
     "| Create hybrid OpenMM topology  | OpenFE interface - OpenMMTools (eventually - ex Perses)  |\n",
     "| Create Lambda Protocol         | OpenFE interface - OpenMMTools (eventually - ex Perses)  |\n",
-    "| Set up and run RBFE calculation | OpenFE interface - OpenMM + OpenMMTools                  |\n",
-    "| Analyze RBFE calculation      | OpenFE interface - PyMBAR + OpenMMTools                  |"
+    "| Set up and run RBFE calculations | OpenFE interface - OpenMM + OpenMMTools                  |\n",
+    "| Analyze RBFE calculations      | OpenFE interface - PyMBAR + OpenMMTools                  |"
    ]
   },
   {