[gmx-users] unsolved topology problems.

Mark Abraham mark.abraham at anu.edu.au
Sun Jun 8 05:11:58 CEST 2008


> 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
>             # # * # #
>
> I use opls_142 for the carbon labeled with symbol #
> while opls_136 for the carbon labeled with symbol *.
>
> The warning appeared during grompp was at the carbon
> with * symbol.
>
> 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.

So, what's on these lines?

Mark




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