[gmx-users] grompp error

[yp sun]

Yes I find the in the mdp file I wrote "tc-grps=Ptotein Other". Sorry for this stupid error.
Thank you.

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25日，周五, Gianluca Santoni <gianluca.santoni at ibs.fr> 写道：


发件人: Gianluca Santoni <gianluca.santoni at ibs.fr>
主题: Re: [gmx-users] grompp error
收件人: "Discussion list for GROMACS users" <gmx-users at gromacs.org>
日期: 2011年11月25日,周五,下午4:21



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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