[gmx-users] How to compile Mopac7 with Gromacs_2016.3 release?

Mark Abraham mark.j.abraham at gmail.com
Wed May 10 01:20:41 CEST 2017


Such QM/MM support is effectively untested in GROMACS since the early days
of the implementation, so I would strongly suggest using the version of
GROMACS that is either indicated in that install guide, or otherwise known
to work e.g. by having been reported in a publication.


On Wed, May 10, 2017 at 12:43 AM Frank Zhou <frankzhouusa at gmail.com> wrote:

> Hello,
> I am trying to get QMMM support in Gromacs. However, the instruction
> provided by Mopac 7 is using "./configure" with some parameters. However,
> starting from Gromacs 5, they use cmake to compile. Is that mean, if we
> want
> to use Mopac 7, we have to use the old version Gromacs, such as Gromacs
> 4.x?
> Any suggestions?
> Thanks,
> Frank
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