Hi everyone:
Thanks to all of you for lots of intensive work since the Stony Brook meeting!
We are getting closer, and I am still hoping/planning for a joint
Amber11/AmberTools-1.4 release in early April.
I will posting release candidates soon. You will then be able to see, and
comment on, the final tree layout and selection of code. There will be minor
but significant differences from what is in the current CVS tree.
Although the "feature-freeze" date has come and gone, I am still allowing
*careful* updates, and am still planning on some final things to come in:
1. New NEB code from the Simmerling group
2. PM6 and other SQM updates from Andy
3. New CUDA functionality from Ross and Scott
If you have things that are not on the list above, other than minor code
fixes or tweaking of the test cases, please let me know ASAP. In particular,
I am not sure what to expect from Junmei and Wei on sleap and antechamber.
The Users' Manuals still need lots of work! I'm expecting significant updates
from tec3, and proofreading and examples from everyone. Now is a good time
to re-check tutorials as well.
Also: please update the references cited in the Users' Manuals: we want to
keep up to date with key literature, especially from our own groups. Don't
wait for your adviser to remember this, or rely on me. If you want *your*
work (and those of your group) to be read, get some updated citations into
the documentation!
[Scott B: it's about time to work your test-case magic to change the "Amber
10"'s to "Amber 11"].
...thx...dac
p.s.: There is still time to submit cover artwork for the Amber11 Users'
Manual. Volodymyr's work will grace the new AmberTools Manual -- see his
nice picture and corresponding explanation in the latest docs. We need
something similar for the Amber11 manual...please use a white background, make
a good quality picture, and supply a short paragraph about how it relates to
Amber.
p.p.s: photos from the Stony Brook meeting are at http://ambermd.org, in case
you haven't already seen them.
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Received on Sat Feb 27 2010 - 20:00:02 PST
