source leaprc.gaff loadamberparams /opt/conda/dat/leap/parm/frcmod.ions1lm_iod loadoff ../urea/URA.lib loadamberparams ../urea/urea.frcmod loadoff ../amoniak/AMK.lib loadamberparams ../amoniak/amoniak.frcmod loadoff ../air/air.lib loadamberparams ../air/air.frcmod SYSTEM = loadpdb system_init.pdb list saveamberparm SYSTEM system.prmtop system.inpcrd savepdb SYSTEM system.pdb quit