[AMBER-Developers] Second release candidate for AmberTools13

From: David A Case <case.biomaps.rutgers.edu>
Date: Sat, 6 Apr 2013 09:39:18 -0400

Hi everyone:

You can get the second release candidate here:


For most of you, I don't think it is so important to run the tests again--we
seem to be pretty stable there. I would rather like people to look through
the manual, especially in the force field chapter, but really everywhere,
and find things that could be improved. Some notes:

1. Please put changes into AmberTools12.lyx in the *master* branch. (We will
change the name later to AmberTools13, but I am trying to avoid confusion
now.) All changes should go to master; please do not push changes to

2. As before, avoid making any changes to AmberTools12.lyx that are not
intended for the upcoming release.

3. There are places in the nucleic acid and glycam sections of chap. 2 where
the brackets "[,]" are missing around the citations. Don't worry about these:
they are fixed in a version I was unable to include in this release candidate.

4. I am asking James and Carlos to look over the section on ff12SB and make
needed revisions. What is there now was principally written by me, and may
not be accurate.

5. Junmei: can you make a simple test case for parmchk2? Basically, run the
program on one of the current tests, and look carefully that it is giving the
answers you want.

I am currently planning to have one more release candidate (in about 1 week),
and a release in about 2 weeks.


AMBER-Developers mailing list
Received on Sat Apr 06 2013 - 07:00:04 PDT
Custom Search