[gmx-users] x2top_d running for too long

[David van der Spoel]

vivek sharma wrote:
> Hi Mark,
> Thanks for your reply.
> But I didn't got what does it mean?
> 
It's a bug.

Please try one of the other programs from the download section on the 
website, e.g. topolbuild.

> 2009/6/10 Mark Abraham <Mark.Abraham at anu.edu.au 
> <mailto:Mark.Abraham at anu.edu.au>>
> 
>     vivek sharma wrote:
> 
>         Hi All,
>         I am trying to generate the topology file for some molecule
>         using x2top_d. I have fired the command as:
>         */x2top_d -f Bromo-WR99210.pdb -o Bromo-WR99210.top -r
>         Bromo-WR99210.rtp
> 
>         /*This is executing from last 16 hours!!!!, I dont know whether
>         it takes this much time or is there any problem with my run.
> 
>         Can anybody give an idea of why the run is taking too long ?
> 
> 
>     Something is broken. There is no need to run x2top in
>     double-precision, but this should not be the problem. 
> 
> 
> 
>     Mark
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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