[gmx-users] grompp error
sunyeping at yahoo.com.cn
Fri Nov 25 09:09:27 CET 2011
When I ran the grompp as following
grompp -v -f md.mdp -c pr.gro -p RI-10.top -o md.tpr
a error information appeared:
Program grompp, VERSION 3.3.1
Source code file: readir.c, line: 789
Group Ptotein not found in indexfile
Maybe you have non-default goups in your mdp file, while not using the '-n' opti on of grompp.
In that case use the '-n' option
I don't know which file "Group Ptotein" is in and where I should make change.
Can you help me? Thanks in advance.
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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