[gmx-users] grompp

[Justin A. Lemkul]

leila karami wrote:
> Hi
> 
> I used grompp command but follow fatal error appeared:
> 
> Atom index (1) in settles out of bounds (1-0).
> This probably means that you have inserted topology 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.
> 
> please guide me
> 

http://www.gromacs.org/Documentation/Errors#Atom_index_(1)_in_bonds_out_of_bounds

Beyond that, search the list archive; this comes up quite often when you've 
improperly formatted the topology.

-Justin

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-- 
========================================

Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
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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