10.10.2017 21:46, gromacs.org_gmx-users-requ...@maillist.sys.kth.se пишет:
Message: 4
Date: Tue, 10 Oct 2017 21:26:11 +0900
From: minky son<minky0...@gmail.com>
To:"gromacs.org_gmx-users@maillist.sys.kth.se"
<gromacs.org_gmx-users@maillist.sys.kth.se>
Subject: [gmx-users] problem about installing the latest version of
MOPAC
Message-ID:<59dcbc64.86cd620a.4c0c5.4...@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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