[gmx-users] Error in genrestr

Priya Das priyadas001 at gmail.com
Fri Nov 28 08:26:38 CET 2014

Dear All,

I am working with a pentameric protein. I embedded it in DPPC bilayer and
infalted the bilayer using inflate.gro.

For minimization step i have used position restraints :

genrestr -f opq_new.gro -o strong_posre.itp -fc 100000 100000 100000

and have included the .itp file in all five the topology files generated
for the protein. But i am getting constant error :

*[ file strong_posre.itp, line 1260 ]:Atom index (1256) in
position_restraints out of bounds (1-1255).*

Please help
*Let us all join hands to save our " Mother Earth"*
Priya Das
Research Scholar
Dept. of Computational Biology and Bioinformatics,
University of Kerala

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