[gmx-users] [HELP] Residue 'NI' not found in residue topology database

[Edjan Silva]

Dear users,

I am trying to perform a simulation with a protein which contains two
nickel atoms in the active site.

When using the pdb2gmx command the following error appears:

'NI' not found in residue topology database

I have edited the ions.itp file in the force field directory used (opls)
but the same error still appears.

Best regards,

Edjan.