[gmx-users] Regarding Gromacs 5.0 Beta1 release

Michael Shirts mrshirts at gmail.com
Mon Dec 9 17:10:31 CET 2013

There's two issues here; an actual bug (#1315) with intramolecular 1-4
interactions when combining function type 2 and 1, and the fact that
couple-intramol doesn't do exactly what you might expect it to do,
i.e.: right now, if one sets coupl-intramol = yes, LJ and Coul 1-4's
are left on (uncoupled) at all lambda.  The actual bug is fixed in 5.0
(actually, in 4.6.4).

If you look in the discussion, then adding more flexibility is on the
short term plan. It is not in the beta current, but there is a good
chance this extra flexibility will be in the next test release and in
the final 5.0.  If not, it will definitely be in 5.1.

On Mon, Dec 9, 2013 at 9:11 AM, bipin singh <bipinelmat at gmail.com> wrote:
> Hi,
> Please let me know whether the below issue (link) has been addressed in this
> release:
> http://bugzilla.gromacs.org/issues/1340
> If no then is there any plan to include this in future release.
> --
> --------------------
> Thanks and Regards,
> Bipin Singh

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