[gmx-users] Fatal error: Force field inconsistency: 1-4 interaction

[Markus O Kaukonen]

Dear All,

Got message with 'mdrun' (pdb2gmx and grompp where fine, no warnings)

>Fatal error: Force field inconsistency: 1-4 interaction parameters for
>atoms 11-14 not the same as for other atoms with the same atom type

1) What does this mean?
   Has it only to do with 1-4 parameters defined in ffgmx2nb.itp ?
>   [ pairtypes ] ; THESE ARE 1-4 INTERACTIONS
>  ; i    j func         cs6          cs12
>   CC   ZS    1 0.23402E-02   0.33740E-05
> ...etc...

Or has it something to do with proper dihedrals???

I use ffgmx2 force field.

2) Could somebody check whether the index numbering in the error message
   above starts from 1 for both
   atoms (here 11 and 14) or does it start from 0 or be a mixture of
   those?

Best confused wishes, Markus

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