[gmx-users] error in topology file

David van der Spoel spoel at xray.bmc.uu.se
Mon Jun 2 08:56:50 CEST 2008


hhhh huan wrote:
> Dear all gmx users and developers,
> 
> After i run the grompp, there were two warnings
> appeared. The warning statements are as follow:
> 
> warning 1 [File "p1.top" line 208]
>          No default Ryckaert-Bell. type, using zeros.
> 
> warning 2 [File "p1.top" line 209]
>          No default Ryckaert-Bell. type, using zeros.
> 
> I checked the lines as stated in the warning, but i
> didn't realize what is the problems.
> 
> Any suggestions and solutions are appreciated.
you are missing force field parameters at the indicated lines.
> 
> THANKS.
> 
> 
>       
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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



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