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

Justin A. Lemkul jalemkul at vt.edu
Sun Feb 13 16:31:13 CET 2011

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.



> Regards,
> Adam


Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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