[gmx-users] gromacs 5.0 compile with QM/MM
yescalona at ug.uchile.cl
Wed Sep 3 09:13:32 CEST 2014
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
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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