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

Xianchi Dong dongxianchi at gmail.com
Mon Oct 17 02:20:53 CEST 2016


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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