source leaprc.gaff loadamberparams ../../Dati_LEAP/parm_copZ.dat loadAmberPrep ../../Dati_LEAP/CU.prep loadAmberPrep ../../Dati_LEAP/CYG.prep MNK = loadPdb neweditin.pdb bond MNK.148.CU MNK.12.SG bond MNK.148.CU MNK.87.SG bond MNK.148.CU MNK.90.SG addions MNK Na+ 6 saveAmberParm MNK prm_1.top prm_1.crd savepdb MNK prm_1.pdb quit