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<div class="moz-cite-prefix">Hi,<br>
<br>
I would like to note that there is an issue that affects results
of free energy simulations:<br>
<a class="moz-txt-link-freetext" href="http://redmine.gromacs.org/issues/1146">http://redmine.gromacs.org/issues/1146</a><br>
This should certainly be fixed for 4.6.1.<br>
I have uploaded a fix, but this should be carefully reviewed (and
it needs updating of reference output):<br>
<a class="moz-txt-link-freetext" href="https://gerrit.gromacs.org/#/c/2133/">https://gerrit.gromacs.org/#/c/2133/</a><br>
<br>
PS I have free energy with the Verlet scheme working with minor
changes, but that should thoroughly tested<br>
and reviewed, so that will have to wait for 4.6.2.<br>
<br>
Cheers,<br>
<br>
Berk<br>
<br>
On 02/12/2013 09:15 PM, Mark Abraham wrote:<br>
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Hi GROMACS developers,
<div><br>
</div>
<div>We've made a number of bug fixes to 4.6, and it's time we got
those out to the world in 4.6.1. There's a few bits and pieces
still sitting in gerrit, so please see what you can get done.
I'll plan to construct a release branch on Friday and release
Monday Feb 17.</div>
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</div>
<div>Cheers,</div>
<div><br>
</div>
<div>Mark</div>
<br>
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