[gmx-users] Residue XXX not found in residue topology database

[Justin Lemkul]

On 8/26/19 8:27 PM, Neena Susan Eappen wrote:
> Hello gromacs users,
>
> I saw the following error for a modified residue I added though I edited all necessary files including PDB. I also read the gromacs documentation on this error.
>
> Residue XXX not found in residue topology database.
>
> Any hints on what might be happening?

Not without a precise listing of exactly what you did. 99% of the cases 
that raise this error are specifically addressed by 
http://manual.gromacs.org/current/user-guide/run-time-errors.html#residue-xxx-not-found-in-residue-topology-database 
in concert with http://manual.gromacs.org/current/how-to/topology.html

-Justin

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Justin A. Lemkul, Ph.D.
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