setOverwrite True change AMBER_ATOM_TYPE :A*,DA*@N7 NAMG change AMBER_ATOM_TYPE :G*,DG*@N7 NGMG change AMBER_ATOM_TYPE :*@OP* OPMG addLJType @%NAMG addLJType @%NGMG addLJType @%OPMG add12_6_4 @%Mg2+ watermodel TIP4PEW polfile lj_1264_pol.dat printLJMatrix @%Mg2+ outparm NAME.parm7 NAME.rst7