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
--
========================================
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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