set NAME 3H68_OH # Load AMBER Parameters loadParam /amber11/dat/mtkpp/parm94.xml loadParam /amber11/dat/mtkpp/parm_gaff.xml loadParam /amber11/dat/mtkpp/metals/metalParm.xml loadParam /amber11/dat/mtkpp/caparm.xml # Load AMBER libraries loadLib /amber11/dat/mtkpp/amino94.xml loadLib /amber11/dat/mtkpp/aminont94.xml loadLib /amber11/dat/mtkpp/aminoct94.xml loadLib /amber11/dat/mtkpp/fragLib/terminal.xml loadLib /amber11/dat/mtkpp/metals/metals.xml loadLib /amber11/dat/mtkpp/calib.xml