Hi all,
On 10/11/2010, at 10:47 a.m., case wrote:
> Hi everyone:
>
> I'd like to start the planning process for AmberTools 1.5. Note that we have
> no reason to wait for a two-year cycle, and my thinking is that we should
> try to decide soon what will go in the next release, do final tweaking at the
> March developers' meeting, and plan to push the release out by April, 2011.
>
> Comments on the proposed timing are welcome.
>
> I know there are significant changes in mmpbsa_py, pbsa, rism and ptraj.
> If you have other things that you think should be added to this list
> (metal-based ff's, new qm or qm/mm functionality, others???) please post
> to the list, and make plans to get code and test cases into git (if they
> are not already there.)
We're working on getting our metal force field stuff, i.e., MTK++, straightened
out and in the main release. At the moment it's on a side branch, MTKpp-devel.
We hope to have finished preliminary testing by the end of the year, so it can
be merged into the main branch and everyone can see and test it; final tweaking
etc. can happen then. Documentation and test cases will be provided too.
What do people think?
Cheers,
Ben
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Received on Mon Nov 15 2010 - 13:00:35 PST
