source leaprc.protein.ff19SB source leaprc.water.opc prot = loadpdb 4LZT_amber.pdb bond prot.6.SG prot.127.SG bond prot.30.SG prot.115.SG bond prot.64.SG prot.80.SG bond prot.76.SG prot.94.SG charge prot check prot saveamberparm prot 4LZT.prmtop 4LZT.inpcrd quit