[gmx-users] GROMACS 4.6-beta2 released

Mark Abraham mark.j.abraham at gmail.com
Thu Dec 6 18:20:49 CET 2012

Hi all,

We've updated the GROMACS beta version to fix some bugs both you and we
found. We've also added the Adaptive resolution scheme (adResS) to our list
of new features (though we still have yet to publish a complete list of
those!). adResS couples two systems with different resolutions by a force
interpolation, which can be used to speed-up atomistic simulations. The new
source package can be found at
ftp://ftp.gromacs.org/pub/gromacs/gromacs-4.6-beta2.tar.gz. Installation
instructions still here

Please try it out, particularly if you haven't done so already! Also, if
everything is smooth sailing, please drop us a line on gmx-users just to
say that. We can't tell whether silence is "worked great, nothing to say"
or "haven't tried it yet". That will help us judge when things are stable
enough to make a real release!

Speaking of that, we are keen to make that final release soon. While we
can't pick a date yet, we promise that if you give us feedback by December
21, then we will make a sincere effort to incorporate the results of that
feedback in the final release. In particular, if it's an issue on our
Redmine bug report database http://redmine.gromacs.org, then it will be
sure to get our attention and consideration. You'll need to register an
account to make a bug report (so that we can get back to you), but that's
free and easy.

We hope to release a current version of our regression test suite next
week, and a benchmark set soon.


Mark Abraham
GROMACS development manager

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