[gmx-users] inflate gro
iyer at wehi.EDU.AU
Wed Jul 20 04:28:00 CEST 2011
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:
[ 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
in a part belonging to a different molecule than you intended to.
In that case move the "position_restraints" section to the right molecule."
I wonder if any one could help me with it.
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