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

yp sun sunyeping at yahoo.com.cn
Mon Nov 28 12:40:21 CET 2011

Dear professor,
Is there any simple way to resolve my problem? Thanks!

Yeping Sun
CAS Key Laboratory of Pathogenic Microbiology & Immunology
NO.1 Beichen West Road,Chaoyang District,Beijing 100101,china

--- 11年11月28日,周一, Mark Abraham <Mark.Abraham at anu.edu.au> 写道:

发件人: Mark Abraham <Mark.Abraham at anu.edu.au>
主题: Re: [gmx-users] Atom not found in residue while adding hydrogens
收件人: "Discussion list for GROMACS users" <gmx-users at gromacs.org>
日期: 2011年11月28日,周一,下午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 :-)



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