[gmx-users] Iron in OPLS

[Prasad Gajula]

Dear Gromacs Users,

I want to use OPLS force field for my system which has diiron. The two
irons form ligand bonds with ASP,GLU and HIS residues. I could not find
any parameters in OPLS  for Iron which has ligand bonds.
Can anyone suggest me how can I proceed..Can I use the parameters which are
defined for HEME in ffG43a1 forcefield???

Thank you very much!
Best regards
prasad