[gmx-users] about ff parameters

[Mark Abraham]

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.

Mark