---------- Forwarded message ---------- From: leila karami <[email protected]> Date: Tue, Nov 3, 2009 at 1:50 PM Subject: grompp To: [email protected]
Hi 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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