[gmx-developers] 4.6.1 soon!
Shirts, Michael (mrs5pt)
mrs5pt at eservices.virginia.edu
Tue Feb 12 22:01:30 CET 2013
I'll take a look. I've been swamped the last few days, but now have time to
do some checking.
Department of Chemical Engineering
University of Virginia
michael.shirts at virginia.edu
> From: Berk Hess <hess at kth.se>
> Reply-To: Discussion list for GROMACS development <gmx-developers at gromacs.org>
> Date: Tue, 12 Feb 2013 21:33:39 +0100
> To: Discussion list for GROMACS development <gmx-developers at gromacs.org>
> Subject: Re: [gmx-developers] 4.6.1 soon!
> I would like to note that there is an issue that affects results of free
> energy simulations:
> This should certainly be fixed for 4.6.1.
> I have uploaded a fix, but this should be carefully reviewed (and it
> needs updating of reference output):
> PS I have free energy with the Verlet scheme working with minor changes,
> but that should thoroughly tested
> and reviewed, so that will have to wait for 4.6.2.
> On 02/12/2013 09:15 PM, Mark Abraham wrote:
>> Hi GROMACS developers,
>> 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.
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