The most reasonable thing is that there is a typo in your .mdp or in
your .top files.
Check where you've written "Ptotein" instead of Protein
On 11/25/11 4:09 PM, yp sun wrote:
Dear Sir'
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
Fatal error:
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.
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
--
Gianluca Santoni,
Institut de Biologie Structurale
41 rue Horowitz
Grenoble
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