Tutorials for Preparing the Trypsin/Benzamidine System ====================================================== This tutorial walks through the process of preparing, parametrizing, equilibrating, and generating the starting structures for a SEEKR2 calculation of the trypsin/benzamidine system. This tutorial requires OpenMM and AmberTools to be installed and ready to run. .. figure:: media/tutorial_tryp_ben_crystal_structure.png :align: center A structure of benzamidine bound to the trypsin protein. .. toctree:: :maxdepth: 1 :caption: Contents: tutorial_tryp_ben_parametrize tutorial_tryp_ben_hidr