[gmx-users] pdb2gmx error

Mark Abraham Mark.Abraham at anu.edu.au
Mon Apr 2 02:22:42 CEST 2012

On 2/04/2012 10:19 AM, Acoot Brett wrote:
> Dear All,
> I just run a pdb2gmx of a protein, the error message is "
> Fatal error:
> Atom CG is used in an interaction of type atom in the topology
> database, but an atom of that name was not found in residue
> number 5."
> According to the sugestion I have tried to find the reason in "
> http://www.gromacs.org/Documentation/Errors"
> But in that part of Document no this error was explained.
> I am looking forward to getting an explaination from you.

Like it says, look at residue 5 in your .gro and .rtp input files. They 
need to match well enough.

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