[gmx-users] You probably have an atom called K (potassium ???) not defined in the FF
David
spoel at xray.bmc.uu.se
Wed Jan 12 18:46:02 CET 2005
On Wed, 2005-01-12 at 15:10 -0200, Alan Wilter Sousa da Silva wrote:
> Nope, no potassium, no even K at all.
Then your pdbfile may be incorrect (wrong colums orso). Try reading it
in e.g. pymol or rasmol.
>
> Cheers!
> Alan
>
> Xavier wrote:
> > You probably have an atom called K (potassium ???) not defined in the FF
>
>
> --------------------------
> Alan Wilter Sousa da Silva
> --------------------------
> D.Sc. - IBCCF/UFRJ
> Projeto BioPAUA - HP/LNCC
> Petrópolis (RJ), Brasil
> www.lncc.br/~alan
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--
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596, 75124 Uppsala, Sweden
phone: 46 18 471 4205 fax: 46 18 511 755
spoel at xray.bmc.uu.se spoel at gromacs.org http://xray.bmc.uu.se/~spoel
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