Fatal Error: Residue Not Found in the Residue Topology Database

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1

GROMACS version: 2023
GROMACS modification: No
I have a PDB file of Graphene oxide nanosheet. When I am using the pdb2gmx command I am getting an error of residue not found. Can you please help?

Screenshot from 2023-04-17 17-27-36
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2

Materials like graphene and related species are best built with x2top, as pdb2gmx is really only intended to build linear polymers of known residue composition. There is no way it can know what what graphene oxide is. You will need to define atomic properties in your force field’s .n2t file for x2top to work.

3

Thank you Sir. I will go through the .n2t file.