mailmd2011 at gmail.com
Sat Aug 25 15:48:06 CEST 2018
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:
> 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
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