GROMACS version:2022
GROMACS modification: Yes/No
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I am getting the following error on trying to do AA-MD simulation of graphene with protein.
Residue ‘GP00’ not found in residue topology database, this error is for the command given:gmx pdb2gmx -f 1AKI_clean.pdb -o 1AKI_processed.gro -water spce.
I have tried editing the .itp file generated for graphene from CHARMM-GUI but still getting this error.