#ZHAO LINA# wrote:
Hi,
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.
As the error message indicates, your #include statement is in the wrong place.
In the topology, order matters. The [position_restraints] directive must be
#included after the relevant [moleculetype] directive, and not after anything else.
-Justin
Thanks for any clue. The part belongs to the one I want to restraints. I
mean, the molecule is right.
Thanks,
lina
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
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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