[gmx-users] Fwd: Topology error

[Jai Krishna]

Dear Sir/Ma'am,

I am trying to generate topology file for my metalloprotein that has FeS
cluster and Fe2+ atoms in it. When I run the pdb2gmx command, it fails to
generate the topology file. The error says -   Residue 'FE2' not found in
residue topology database.

Could you please help me with this query? What steps should I take to
proceed forward with it. I also like to tell you that I need these atoms in
my protein for ligand to bind and for simulation also.

Thank you in advance.

Regards,
Jai Krishna
IIT Roorkee