source leaprc.gaff loadamberparams /home/adit/miniconda3/dat/leap/parm/frcmod.ions1lm_iod loadoff ../urea/URA.lib loadamberparams ../urea/urea.frcmod loadoff ../water/water.lib loadamberparams ../water/water.frcmod SYSTEM = loadpdb system_init.pdb list saveamberparm SYSTEM system.prmtop system.inpcrd savepdb SYSTEM system.pdb quit