Update PCA_analysis_of_MD_simulations.ipynb

Author: jimboid

PCA_analysis_of_MD_simulations.ipynb

@@ -68,7 +68,7 @@
     "    print('Error - you need to install nglview')\n",
     "    all_good = False\n",
     "\n",
-    "files = ['data/wt_ca.binpos', 'data/wt_ca.pdb', 'data/irhy_ca.binpos', 'data/irhy_ca.pdb', 'data/1rhw_prot.pdb']\n",
+    "files = ['data/wt_ca.nc', 'data/wt_ca.pdb', 'data/irhy_ca.nc', 'data/irhy_ca.pdb', 'data/1rhw_prot.pdb']\n",
     "files += ['data/rep{}/1rhw.md1.nc'.format(i + 1) for i in range(8)]\n",
     "import os\n",
     "for file in files:\n",