[gmx-users] about ff parameters
Mark.Abraham at anu.edu.au
Thu Jul 9 02:58:58 CEST 2009
oguz gurbulak wrote:
> Dear All,
> I study on molecular dynamics simulations. I easily found all
> parameters for a pyrimidine and a benzene separately but I couldn't find
> some bond, angle and dihedral parameters between pyrimidine and benzene
> rings when they are connected to each other as in the figure. For
> example I couldn't find the dihedral parameter for CA-C!-C!-N . Could
> you please help me to learn these parameters ?
See http://oldwiki.gromacs.org/index.php/Parameterization. This is not
an easy thing to do.
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