<P> </P>
<P>Doubt its definitely something to do with .itp file in .top.</P>
<P>did u put #ions.itp in the topology file.</P>
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<P><B><FONT style="FONT-SIZE: 9pt">David <spoel@xray.bmc.uu.se></FONT></B><BR><FONT style="FONT-SIZE: 9pt">Sent by: </FONT><FONT style="FONT-SIZE: 9pt">gmx-users-bounces@gromacs.org</FONT>
<P><FONT style="FONT-SIZE: 9pt">01/12/2005 06:46 PM CET</FONT>
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<TD width="64%" bgColor=#e1e1e1><IMG height=1 alt="" src="/icons/ecblank.gif" width=1 border=0><BR><FONT style="FONT-SIZE: 9pt">Re: [gmx-users] You probably have an atom called K (potassium ???) not defined in the FF</FONT></TD></TR>
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<TD width="64%" bgColor=#e1e1e1><IMG height=1 alt="" src="/icons/ecblank.gif" width=1 border=0><BR><FONT size=-1></FONT></TD></TR></TABLE><BR><TT>On Wed, 2005-01-12 at 15:10 -0200, Alan Wilter Sousa da Silva wrote:<BR></TT><TT>> Nope, no potassium, no even K at all.<BR></TT><TT>Then your pdbfile may be incorrect (wrong colums orso). Try reading it<BR></TT><TT>in e.g. pymol or rasmol.<BR></TT><TT>><BR></TT><TT>> Cheers!<BR></TT><TT>> Alan<BR></TT><TT>><BR></TT><TT>> Xavier wrote:<BR></TT><TT>> > You probably have an atom called K (potassium ???) not defined in the FF<BR></TT><TT>><BR></TT><TT>><BR></TT><TT>> --------------------------<BR></TT><TT>> Alan Wilter Sousa da Silva<BR></TT><TT>> --------------------------<BR></TT><TT>> D.Sc. - IBCCF/UFRJ<BR></TT><TT>> Projeto BioPAUA - HP/LNCC<BR></TT><TT>> Petrópolis (RJ), Brasil<BR></TT><TT>> www.lncc.br/~alan<BR></TT><TT>> _______________________________________________ gmx-users mailing list gmx-users@gromacs.org <A href="http://www.gromacs.org/mailman/listinfo/gmx-users">http://www.gromacs.org/mailman/listinfo/gmx-users</A> Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-request@gromacs.org.<BR></TT><TT>--<BR></TT><TT>David.<BR></TT><TT>________________________________________________________________________<BR></TT><TT>David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,<BR></TT><TT>Dept. of Cell and Molecular Biology, Uppsala University.<BR></TT><TT>Husargatan 3, Box 596, 75124 Uppsala, Sweden<BR></TT><TT>phone: 46 18 471 4205 fax: 46 18 511 755<BR></TT><TT>spoel@xray.bmc.uu.se spoel@gromacs.org <A href="http://xray.bmc.uu.se/~spoel">http://xray.bmc.uu.se/~spoel</A><BR></TT><TT>++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++<BR></TT><BR><TT>_______________________________________________<BR></TT><TT>gmx-users mailing list<BR></TT><TT>gmx-users@gromacs.org<BR></TT><TT><A href="http://www.gromacs.org/mailman/listinfo/gmx-users">http://www.gromacs.org/mailman/listinfo/gmx-users</A><BR></TT><TT>Please don't post (un)subscribe requests to the list. Use the</TT><BR><TT>www interface or send it to gmx-users-request@gromacs.org.</TT>