Add some more explanations

Author: hannahbaumann

openmm_septop/septop_analysis.ipynb

@@ -8,7 +8,11 @@
     "# Analysis of a network of RBFE SepTop calculations\n",
     "\n",
     "In this notebook we show how to analyze a network of transformations, run with the OpenFE Separated Topologies protocol.\n",
-    "This notebook shows you how to extract the overall difference in binding affinity between two ligands, as well as the contribution from the different legs (complex and solvent) of a transformation."
+    "This notebook shows you how to extract\n",
+    "\n",
+    "- The overall difference in binding affinity between two ligands (DDG)\n",
+    "- The MLE-derived absolute binding free energies\n",
+    "- The contribution from the different legs (complex and solvent) of a transformation."
    ]
   },
   {
@@ -399,7 +403,9 @@
    "id": "d6e47322-bd5b-4b3b-b601-c406c03f8284",
    "metadata": {},
    "source": [
-    "### Obtain the overall difference in binding affinity for all edges in the network"
+    "### Obtain the overall difference in binding affinity for all edges in the network\n",
+    "\n",
+    "Here, if only a single repeat was run, the MBAR error is used as uncertainty estimate"
    ]
   },
   {