Introducing New atom to the Gromacs forcefield

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1

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Hi,

I need to introduce new atom to the forcefield. I already adeed the parameters to the atomtypes.atp and ffnonbonded.itp file. But I am getting following error.

" Residue ‘KR’ not found in residue topology database"

cheers, Kal

2

https://manual.gromacs.org/current/user-guide/run-time-errors.html#residue-xxx-not-found-in-residue-topology-database

3

Thank you very much !