[gmx-users] Qm/mm

[Albert]

why not try some professional QM/MM software like "ORCA". It will make 
your life much easier.


On 08/24/2018 11:54 PM, rose rahmani wrote:
> Hi,
>
> I want to use qm/mm calculations(dfb3 code & ONIOM method) in gromacs.
> Since, some of these codes are commercial(like ONIOM specially Gaussian), i
> wanted to ask are these all free in GROMACS? Or we should first register
> and by these codes separately and then use them in GROMACS?
>
> Best regards
>
> Rose