Dear professor,
Is there any simple way to resolve my problem? Thanks!
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年11月28日，周一, Mark Abraham <[email protected]> 写道：
发件人: Mark Abraham <[email protected]>
主题: Re: [gmx-users] Atom not found in residue while adding hydrogens
收件人: "Discussion list for GROMACS users" <[email protected]>
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
:-)
Mark
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