[gmx-users] HELP - Fatal error gmx pdb2gmx
Edjan Silva
edjan.silva at esenfar.ufal.br
Fri May 10 20:26:39 CEST 2019
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
residue*
*names that have not yet been added to the residuetypes.dat file in the
GROMACS*
*library directory. If there are other molecules such as ligands, they
should*
*not have the same chain ID as the adjacent protein chain since it's a
separate*
*molecule.*
*For more information and tips for troubleshooting, please check the
GROMACS*
*website at http://www.gromacs.org/Documentation/Errors
<http://www.gromacs.org/Documentation/Errors>*
I could not run the command without problem. What should I do?
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