[gmx-users] Qm/mm

Benson Muite benson.muite at ut.ee
Fri Aug 24 23:57:56 CEST 2018


I believe for the non free codes, you would need to obtain a license. 
Depending on the calculation you want to do, there are free alternatives 
to the non free codes.


On 08/25/2018 12:54 AM, 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



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