fix error mbar

Author: atravitz

abfe_tutorial/abfe_analysis.ipynb

@@ -35,7 +35,7 @@
      "text": [
       "  % Total    % Received % Xferd  Average Speed   Time    Time     Time  Current\n",
       "                                 Dload  Upload   Total   Spent    Left  Speed\n",
-      "100 3092k  100 3092k    0     0   897k      0  0:00:03  0:00:03 --:--:--  897k\n",
+      "100 3092k  100 3092k    0     0   432k      0  0:00:07  0:00:07 --:--:--  501k\n",
       "Archive:  abfe_results.zip\n",
       "  inflating: abfe_results/README.md  \n",
       "  inflating: abfe_results/abfe_results_single_unit/results_2/1.json  \n",
@@ -264,9 +264,9 @@
     "\n",
     "    This also takes into account that repeats may have been run for this edge by using the average MBAR error\n",
     "    \"\"\"\n",
-    "    complex_errors = [x[1].m for x in r[\"complex\"]]\n",
-    "    solvent_errors = [x[1].m for x in r[\"solvent\"]]\n",
-    "    return np.sqrt(np.mean(complex_errors) ** 2 + np.mean(solvent_errors) ** 2)"
+    "    complex_errors = np.array([x[1].m for x in r[\"complex\"]])\n",
+    "    solvent_errors = np.array([x[1].m for x in r[\"solvent\"]])\n",
+    "    return np.sqrt(np.mean(complex_errors**2) + np.mean(solvent_errors**2))\n"
    ]
   },
   {