[gmx-users] Atom not found in residue while adding hydrogens

[Mark Abraham]

On 28/11/2011 10:13 PM, yp sun wrote:
> Dear Sir,
> When I run pdb2gmx, I encounter the following error information:
>
> Program pdb2gmx, VERSION 3.3.1
> Source code file: genhydro.c, line: 304
> Fatal error:
> Atom CB not found in residue ASP223 while adding hydrogens
>
> What should I do?
>

Probably update to a much faster GROMACS version, check out 
http://www.gromacs.org/Documentation/Errors#Atom_X_in_residue_YYY_not_found_in_rtp_entry, 
and follow the guidelines here for making posts 
http://www.gromacs.org/Support :-)

Mark
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