[gmx-users] grompp error
gianluca.santoni at ibs.fr
Fri Nov 25 09:21:16 CET 2011
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
> 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
Institut de Biologie Structurale
41 rue Horowitz
Please avoid sending me Word or PowerPoint attachments.
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