[gmx-users] problem with the creating of a top-file

[Mark Abraham]

Saskia Frenzel wrote:
> Dear all,
> 
> I have a problem with the creating of a top-file because the following error appeared:
> 
> Fatal error:
> [ file spc.itp, line 32 ]
> Atom index (1) in bonds out of bounds (1-0).
> This probably means that you have inserted topologie
> section "settles" in a part belonging to a different 
> molecule than you intended to. in that case move the
> "settles" section to the right molecule.

I've now wikified the answer to this one here
http://wiki.gromacs.org/index.php/Errors#Atom_index_.281.29_in_bonds_out_of_bounds

Mark