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hello everyone,
i am beginner to gromacs, i have tried CHARMM and OPLS force field. but when i do pdb2gmx, it gives me this error:
Fatal error:
Residue 225 named LYS of a molecule in the input file was mapped
to an entry in the topology database, but the atom CG used in
that entry is not found in the input file. Perhaps your atom
and/or residue naming needs to be fixed.
please tell how to fix it.
regards
shivangi