Update OpenMM section for on-line delivery

Author: CharlieLaughton

OPENMM/OpenMM_MD.ipynb

@@ -186,7 +186,13 @@
     "\n",
     "You should also see the trajectory file `5fdr_A_md.xtc` has been created. If you download this to your laptop (along with a copy of `5fdr_A.prmtop`, if you haven't got this already), as you did for the **Amber MD** workshop, you can visualize the trajectory using VMD or Chimera.\n",
     "\n",
-    "In the next section of the workshop we will begin to look at more qualtitative analysis of simulation results."
+    "# Summary\n",
+    "\n",
+    "If you are familiar with Python, OpenMM provides a very convenient approach to running MD simulations. The Notebook environment allows you to interleave code and comments, documenting your research for the benefit of both yourself and others.\n",
+    "\n",
+    "But you don't have to use a Notebook - put the same code into a .py file and you can run it on an HPC service, for example.\n",
+    "\n",
+    "The main issue with OpenMM is that if you want to run anything other than a \"vanilla\" MD simulation (e.g some form of enhanced sampling method) you will probably have to author a lot of extra code yourself, while many of the older command-line oriented tools (e.g. AMBER or GROMACS) offer many such options \"out of the box\"."
    ]
   },
   {