[gmx-users] Atom index (5) in position_restraints out of bounds (1-4)

Berk Hess gmx3 at hotmail.com
Mon Nov 8 15:05:21 CET 2004

>while using grompp for a topology-file with restrains, I got the following
>error-message (genpr was used for the moleculetype MOL, with a force 
>constant of
>25000 for every direction):

You are position restraining your DMSO.
You should put the #include "posre.itp" line in the moleculetype
definition of MOL.


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