diff --git a/doc/source/tutorial.rst b/doc/source/tutorial.rst index f5a0381341ec7404afbb09ec9c22d4ac64c5a273..ddea3e70c78448a362e3da376ae3192184bf67fc 100644 --- a/doc/source/tutorial.rst +++ b/doc/source/tutorial.rst @@ -111,7 +111,7 @@ Additionally, other methods of validation should be applied relevant to the clas To compare the distribution of bonded terms, we must first rerun PyCGTOOL to generate samples of the bonded measurements. For the atomistic reference simulation, this can be done by running:: - pycgtool.py -g atenolol.gro -x atenolol.xtc -m atenolol.map -b atenolol.bnd --advanced + pycgtool.py -g ref.gro -x ref.xtc -m atenolol.map -b atenolol.bnd --advanced In the menu, set the advanced option `dump_measurements` to `True` by selecting it with the arrow keys and toggling with the enter key. Once this option has been set, continue by pressing the q key.