[gmx-users] Fatal error

[Mark Abraham]

Mauro Puppett wrote:
> Dear all,
> I was running grompp with a symple phenol and I get this error message
> 
> Fatal error:
> [ file "/usr/share/gromacs/top/spc.itp", line 41 ]:
>              Atom index (1) in settles out of bounds (1-0)
> 
> I didn't make any change in spc.itp file so that sounds a bit strange.
> Does anyone have an idea of what might be wrong?

I guess you #included it in an inappropriate spot. 
http://wiki.gromacs.org/index.php/topology_file

Mark