[gmx-users] Fatal error: Force field inconsistency

Berk Hess gmx3 at hotmail.com
Tue Sep 28 10:14:43 CEST 2004


>Hi,
>
>I have a forcefield which always tells me
>" Fatal error: Force field inconsistency: 1-4 interaction parameters for 
>atoms 3-13 not the same as for other atoms with the same atom type"
>
>I already know that I have to make sure that all interactions between the 
>same type of atom have to be the same (a limitation which makes life anyway 
>unnecessarily complicated ....) but IMHo I did that (see below) and the 
>first four set of pairs work, the last four don't

It is worse. grompp sees that all the atomtypes have the same parameters
and reduced the number of atomtypes to 1. Therefore you get this error 
message.
You can prevent this from happening by using grompp -norenum

Luckily I have already removed this annoying restriction for the next 
release.

Berk.

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