[gmx-users] Position restrain

[David van der Spoel]

Alessandro Mattozzi wrote:
> While running a MD of PE with position restrain, i get this error message
> 
> Fatal error: [ file "posre.itp", line 6 ]:
>              Atom index (101) in position_restraints out of bounds (1-12)
> 
> My atom index goes up to 6000, why do I have to be in the 1-12 range?
your molecule only has 12 atoms and by the way, the error message is 
from grompp.


> Regards
> 
> Alessandro Mattozzi
> M.Phil., Ph.D. student
> Dept. of Fibre and Polymer Technology
> Royal Institute of Technology
> Stockholm, Sweden
> 
> 
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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se
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