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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