[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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