[gmx-users] QMMM install on GMX5.1 (Xianchi Dong)

[Andrew Guy]

Hi Xianchi,

It would be more helpful if you can provide a detailed description of what
failed when you tried to install QMMM. Just saying it failed doesn't give
people much insight into how to assist you.

There are a myriad of possibilities, but without an actual error message to
go off, we're all in the dark here.

Regards,

Andrew

On Mon, Oct 17, 2016 at 11:20 AM, Xianchi Dong <dongxianchi at gmail.com>
wrote:

> Hi Clinton,
> Thanks a lot for your reply. I tried but still failed.
> Would you like to say more about how to configure Gromacs 5.1.2 with
> CPPFLAGS, LIBS, and LDGFLAGS with cmake.
>
> Best,
> Xianchi
>
>
> > On Oct 15, 2016, at 12:52 PM, Clinton King <clintonking36 at chem.byu.edu>
> wrote:
> >
> > Follow the instructions at http://wwwuser.gwdg.de/~ggroenh/qmmm.html
> >
> > You will also need to set the following variable at install time:
> >
> > -DGMX_QMMM_MOPAC=ON
> >
> > --
> > Clinton King
> > Graduate Student
> > Chemistry Department
> > Brigham Young University
> >
> >
> >>
> >>   1. QMMM install on GMX5.1 (Xianchi Dong)
> >>
> >>
> >> Message: 1
> >> Date: Fri, 14 Oct 2016 17:14:36 -0400
> >> From: Xianchi Dong <dongxianchi at gmail.com>
> >> To: gromacs.org_gmx-users at maillist.sys.kth.se
> >> Subject: [gmx-users] QMMM install on GMX5.1
> >> Message-ID: <D4D77C48-E81C-4EEB-B75A-D01B10CD9EE4 at gmail.com>
> >> Content-Type: text/plain; charset=us-ascii
> >>
> >> Hi all,
> >> Does anyone know how to install qmmm code like mopac to gmx5.1?
> >>
> >> Best,
> >> Xianchi
> >>
> >>
> >>
> > --
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