[gmx-users] problem about installing the latest version of MOPAC (minky son)
ggroenh at gwdg.de
Thu Oct 12 11:12:17 CEST 2017
the problem is that I am not able to compile MOPAC7 correctly. Some routines work, but not all and lead to erroneous results.
If you need to run MD with semi empirical methods, I recommend using gaussian instead.
Date: Thu, 12 Oct 2017 10:24:33 +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
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In PDF manual (GROMACS_2016.4), it is mentiond.
? The current version of GROMACS provides interfaces to several popular Quantum Chemistry packages (MOPAC, GAMESS-UK ?.. ?
Please let me know if I missed anything. Thanks.
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