[gmx-users] Regarding Gromacs 5.0 Beta1 release
bipinelmat at gmail.com
Mon Dec 9 17:20:50 CET 2013
Thank You Prof. Shirts for your clarification.
On Mon, Dec 9, 2013 at 9:40 PM, Michael Shirts <mrshirts at gmail.com> wrote:
> 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
> > 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
*--------------------Thanks and Regards,Bipin Singh*
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