[gmx-users] "symtab" error mesaage using gromacs402

[David van der Spoel]

xin liu wrote:
> Hi David
> the new tpr was generated by tpbconv with -zeroq, and the gmxcheck 
> reported the same error message
OK, but did you try with gromp as well? You will have to tweak the 
topology for that. It sounds like a bug in tpbconv.
> 
> On Wed, Jan 7, 2009 at 10:14 PM, David van der Spoel 
> <spoel at xray.bmc.uu.se <mailto:spoel at xray.bmc.uu.se>> wrote:
> 
>     xin liu wrote:
> 
>         Hi everyone,
>          I generated a new tpr from a previous simulation  with some
>         atoms having no charges (zeroq), however, when I used the new
>         tpr to perform "mdrun -rerun" I got the following message:
>         "symtab get_symtab_handle 91563 not found"
>         all simulations were performed under gromacs4.0.2 package.
> 
> 
>     How did you generate the new tpr, using grompp or tpbconv?
>     Please try it with the other tool as well, and run gmxcheck -s1 -s2
> 
>         However, there's nothing wrong when I rerun another similar
>         simulation system which was generated by gromacs3.3.3, I
>         searched the archive and found no solution. Could anybody give
>         some ideas for this?
>         Thx in advance.
>          Yours
>         Xin Liu
>          
> 
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> 
>     -- 
>     David van der Spoel, Ph.D., Professor of Biology
>     Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.
>     Box 596, 75124 Uppsala, Sweden. Phone:  +46184714205. Fax: +4618511755.
>     spoel at xray.bmc.uu.se <mailto:spoel at xray.bmc.uu.se>  
>      spoel at gromacs.org <mailto:spoel at gromacs.org>  
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-- 
David van der Spoel, Ph.D., Professor of Biology
Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone:	+46184714205. Fax: +4618511755.
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se