On 20/07/2011 12:28 PM, Sweta Iyer wrote:
Hi,
I am trying to use inflategro to efficiently insert my protein into lipid
bilayer. I have been following the KALP-15 in DPPC tutorial to do so.
However, after running the perl script for the first time, I am not able
to perform energy minimisation. The error message that I get when I pre
process my files for EM is as follows:
"Fatal error:
[ file strong_posre.itp, line 294 ]:
Atom index (290) in position_restraints out of bounds (1-289).
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."
Either the script doesn't work, or you're not yet using it correctly. Do
read over the documentation (again) and try following the tutorial again
from the beginning.
Mark
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