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

[Berk Hess]

>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.

Berk.

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