[gmx-users] gromacs 5.0 compile with QM/MM

[Yerko Escalona]

Hi. I am not a expert but looking the CMakeLists.txt
Did you try the argument cmake ... *-DGMX_QMMM_PROGRAM="orca"* ../gromacs
Maybe that works
Good luck



On Wed, Sep 3, 2014 at 2:40 AM, 高军 <gaojun at sdu.edu.cn> wrote:

> Dear gromacs users,
>
>      I am compiling Gromacs 5.0, but can't find how to enable compiling
> with QMMM funtion like ORCA.
>      would you please tell me how to get it ?
>
> Jun Gao
> Shandong University
>
>
>
>
>
>
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