[gmx-users] position_restraints

#ZHAO LINA# ZHAO0139 at e.ntu.edu.sg
Tue Oct 19 10:12:57 CEST 2010


 Fatal error:
[ file protein.itp, line 9 ]:
Atom index (5) in position_restraints out of bounds (1-1).
This probably means that you have inserted topology section "position_restraints"
in a part belonging to a different molecule than you intended to.
In that case move the "position_restraints" section to the right molecule.

Thanks for any clue. The part belongs to the one I want to restraints. I mean, the molecule is right.


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