[gmx-users] Re: Group LEU not found in index file

[Justin A. Lemkul]

Adam Bin Idu Jion wrote:
> Hi!
>  
> I'm simulating a system containg Glycine zwitterions, Leucine and water 
> (/i.e./ ZGLY, LEU, SOL).
> I have no problems doing the energy minimization.
> However, for the production run, I get the error:
> /"Group LEU not found in index file"/
>  
> How do I fix this problem?  
>  

For any group specified in the .mdp file (which would be useful for diagnostic 
purposes), you must have a corresponding index group defined if it is not one of 
the default groups.

http://www.gromacs.org/Documentation/Terminology/Default_Index_Groups

-Justin

> Regards,
> Adam
> 

-- 
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Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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