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

Frank Zhou frankzhouusa at gmail.com
Wed May 10 02:53:17 CEST 2017


Good point! Thank you, Mark.

Frank

On 5/9/17, 5:20 PM, "Mark Abraham"
<gromacs.org_gmx-users-bounces at maillist.sys.kth.se on behalf of
mark.j.abraham at gmail.com> wrote:

>Hi,
>
>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.
>
>Mark
>
>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
>>
>>
>> --
>> Gromacs Users mailing list
>>
>> * Please search the archive at
>> http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
>> posting!
>>
>> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>>
>> * For (un)subscribe requests visit
>> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
>> send a mail to gmx-users-request at gromacs.org.
>>
>-- 
>Gromacs Users mailing list
>
>* Please search the archive at
>http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
>posting!
>
>* Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>
>* For (un)subscribe requests visit
>https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
>send a mail to gmx-users-request at gromacs.org.




More information about the gromacs.org_gmx-users mailing list