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

yp sun sunyeping at yahoo.com.cn
Mon Nov 28 12:13:03 CET 2011


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?

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
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