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

[David van der Spoel]

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	spoel at gromacs.org   http://folding.bmc.uu.se