[gmx-users] error after genion

[Tsjerk Wassenaar]

Hi Carsten,

You've included "ions.itp" twice... Note that this has crossed the
mailing list recently and you could've found the answer by searching
the archive.

Tsjerk

On 12/14/06, Carsten Baldauf <carsten.baldauf at biotec.tu-dresden.de> wrote:
> after i added ions using genion i get this error when i try to run
> grompp again:
> Generated 165 of the 1596 non-bonded parameter combinations
> Cleaning up temporary file grompphYfrXb
> -------------------------------------------------------
> Program grompp, VERSION 3.3.1
> Source code file: toppush.c, line: 891
>
> Fatal error:
> moleculetype CL- is redefined
> -------------------------------------------------------
>
> what am i doing wrong?
> cheers//
> carsten
>
>
> --
> dr carsten baldauf
> biotechnologisches zentrum der tu dresden
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-- 
Tsjerk A. Wassenaar, Ph.D.
Junior UD (post-doc)
Biomolecular NMR, Bijvoet Center
Utrecht University
Padualaan 8
3584 CH Utrecht
The Netherlands
P: +31-30-2539931
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