Dave,
We are perfectly Okay with the proposed time line ...
All the best,
Ray
On Wed, Nov 10, 2010 at 7:47 AM, case <case.biomaps.rutgers.edu> 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.)
>
> This release would also be a great time to update and rationalize our force
> field files. To this end: note that ff10 in git (see
> $AMBERHOME/dat/leap/cmd/leaprc.ff10) now has new RNA force field
> parameters,
> and will likely be updated with new torsion parameters for proteins from
> the
> Simmerling group.) ff10 also uses atom and residue names from PDB format
> version 3, which is a definite plus. It's not clear what this will be
> called
> in its final released version, but I encourage people to comment on what is
> there, and to test it. [For example, for proteins it should right now give
> the same results as ff99SB; for DNA, same results as ff99bsc0. Getting
> this
> assertion tested would be very helpful.]
>
> ...thanks....dac
>
>
> _______________________________________________
> AMBER-Developers mailing list
> AMBER-Developers.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber-developers
>
_______________________________________________
AMBER-Developers mailing list
AMBER-Developers.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber-developers
Received on Thu Nov 11 2010 - 12:00:03 PST
