[gmx-users] error in topology file

[hhhh huan]

Dear all gmx users and developers,

The structure of mine is:

C-C-C-C-C-C-C-C-C=C-C-C-C-C-C-C-C-C-O
                                    |
  C-C-C-C-C-C=C-C-C=C-C-C-C-C-C-C-C-C=O
                *                   
                                    

The warning appeared during grompp was at the carbon
with symbol star.
I try the possible force field but still cant get the
correct one.
I am using OPLS-AA force field for my simulation.
Any suggestions to replace the correct value?

Any suggestions and comments are appreciated.
Thanks.



--- David van der Spoel <spoel at xray.bmc.uu.se> wrote:

> 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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