[gmx-users] problem about installing the latest version of, MOPAC

Timofey Tyugashev tyugashev at niboch.nsc.ru
Wed Oct 11 07:37:47 CEST 2017

10.10.2017 21:46, gromacs.org_gmx-users-request at maillist.sys.kth.se пишет:
> Message: 4
> Date: Tue, 10 Oct 2017 21:26:11 +0900
> From: minky son<minky0710 at gmail.com>
> To:"gromacs.org_gmx-users at maillist.sys.kth.se"
> 	<gromacs.org_gmx-users at maillist.sys.kth.se>
> Subject: [gmx-users] problem about installing the latest version of
> Message-ID:<59dcbc64.86cd620a.4c0c5.4c9e at mx.google.com>
> Content-Type: text/plain; charset="utf-8"
> Dear gmx users,
> I?m trying to install MOPAC 2016 and GROMACS_2016.4 for QM/MM calculation.
> I have installed MOPAC, but it gives the following error when I configure  ?-DGMX_QMMM_PROGRAM=mopac? and then execute make command.
> So how to set-up the latest version of MOPAC? Is it possible to use gromacs compatible with MOPAC7?
> I have searched gromacs website, but information for gromacs version3 with MOPAC7 was only provided.
> I want to use the latest version of MOPAC. Please give me any idea to solve this situation.
> Thank you in advance.
QM/MM calculation interfacing is not maintained in current GROMACS versions.

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