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

[Mark Abraham]

On 28/11/2011 10:40 PM, yp sun wrote:
> Dear professor,
> Is there any simple way to resolve my problem? Thanks!
>

Yes. If you've read the first link I suggested then you will have some 
leads for solving your problem. If they don't help you, then you will 
need to follow the advice in my second link before anyone here can begin 
help you.

Mark

>
> Yeping Sun
> CAS Key Laboratory of Pathogenic Microbiology & Immunology
> INSTITUTE OF MICROBIOLOGY CHINESE ACADEMY OF SCIENCES
> NO.1 Beichen West Road,Chaoyang District,Beijing 100101,china
>
> --- *11?11?28?,??, Mark Abraham /<Mark.Abraham at anu.edu.au>/* ??:
>
>
>     ???: Mark Abraham <Mark.Abraham at anu.edu.au>
>     ??: Re: [gmx-users] Atom not found in residue while adding hydrogens
>     ???: "Discussion list for GROMACS users" <gmx-users at gromacs.org>
>     ??: 2011?11?28?,??,??7:25
>
>     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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