[gmx-users] Fatal error

Mark Abraham Mark.Abraham at anu.edu.au
Sat Oct 13 03:16:15 CEST 2007

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. 


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