<P>
<BR>
Hi!<BR>
<BR>
You might be working with an old version of gromacs. Install the new version and see. You may not get this error<BR>
<BR>
On Wed, 12 Jan 2005 Alan Wilter Sousa da Silva wrote :<BR>
><BR>
>Despite what said (Do NOT use for new runs), I'm trying to do a MD with option 5 FF from pdb2gmx. Whatever I do I stop with a grompp error:<BR>
><BR>
>Generated 1232 of the 1431 non-bonded parameter combinations<BR>
>Cleaning up temporary file gromppnoq8ef<BR>
>Fatal error: Atomtype 'K' not found!<BR>
><BR>
>I would thank any advice here.<BR>
><BR>
>Cheers,<BR>
>Alan<BR>
><BR>
>--------------------------<BR>
>Alan Wilter Sousa da Silva<BR>
>--------------------------<BR>
>D.Sc. - IBCCF/UFRJ<BR>
>Projeto BioPAUA - HP/LNCC<BR>
>Petrópolis (RJ), Brasil<BR>
>www.lncc.br/~alan<BR>
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</P>
Vema Aparna
<br>
Prof. G. R. Desiraju's Group,
<br>
School of Chemistry
<br>
University of Hyderabad
<br>
Hyderabad - 500 046
<br>
INDIA<br><br>
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