[gmx-users] Group DRG not found in indexfile

[Justin A. Lemkul]

Please choose an informative subject line, especially when initiating a new thread.

ITHAYARAJA wrote:
> Dear Sir,
> 
> I found an error which is given below as i run grompp for 
> position-restraint
> 
> Fatal error:
> Group DRG not found in indexfile.
> Maybe you have non-default goups in your mdp file, while not using the 
> '-n' option of grompp.
> In that case use the '-n' option.
> 
> The error was attempted with -n but the following error also found,
> 
> File input/output error:
> index.ndx
> 
> I can do nothing by this simple statement, please help me, Sir
> 

You've specified a group somewhere in the .mdp that doesn't exist.  Groups can 
be assigned by the name given in the [moleculetype] directive or by a custom 
name given in an index file.  Apparently you've invoked grompp -n but you don't 
have an index file.  You may or may not need one.  If you've used "DRG" but no 
[moleculetype] entries are named as such, use a proper name.  If you need to use 
some custom subset of atoms, make an index group.

-Justin

-- 
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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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