[gmx-users] grompp

leila karami karami.leila1 at gmail.com
Tue Nov 3 11:22:42 CET 2009

---------- Forwarded message ----------
From: leila karami <karami.leila1 at gmail.com>
Date: Tue, Nov 3, 2009 at 1:50 PM
Subject: grompp
To: gmx-users at gromacs.org


I used grompp command ( grompp -f -c o -p c -o t.tpr) but a mdout.mdp file
is created and 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
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