[gmx-users] HELP - Fatal error gmx pdb2gmx
jalemkul at vt.edu
Sat May 11 00:00:22 CEST 2019
On 5/10/19 2:26 PM, Edjan Silva wrote:
> I deleted all non-protein molecules and saved the file. I typed the
> following command:
> *gmx pdb2gmx -f 4gy7.pdb -o conf.gro -ignh*
> The error was as follows:
> *Fatal error:*
> *The residues in the chain MET1--PHE840 do not have a consistent type. The*
> *first residue has type 'Protein', while residue CME59 is of type 'Other'.*
> *Either there is a mistake in your chain, or it includes nonstandard
> *names that have not yet been added to the residuetypes.dat file in the
> *library directory. If there are other molecules such as ligands, they
> *not have the same chain ID as the adjacent protein chain since it's a
> *For more information and tips for troubleshooting, please check the
> *website at http://www.gromacs.org/Documentation/Errors
> I could not run the command without problem. What should I do?
Have you tried following what the error says by adding the nonstandard
residue to residuetypes.dat?
Justin A. Lemkul, Ph.D.
Office: 301 Fralin Hall
Lab: 303 Engel Hall
Virginia Tech Department of Biochemistry
340 West Campus Dr.
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jalemkul at vt.edu | (540) 231-3129
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