Closed marioernestovaldes closed 4 years ago
when processing cytochrome P450, heme group is deleted. The heme group doesn't appear in the AMBER force field. It's necessary to specify CHARMM force field for PDB2PQR
change HEME name in CHARMM.DAT file to HEM (as appear in the PDB)
when processing cytochrome P450, heme group is deleted. The heme group doesn't appear in the AMBER force field. It's necessary to specify CHARMM force field for PDB2PQR
change HEME name in CHARMM.DAT file to HEM (as appear in the PDB)