Hi All,
As Dave and I discussed, we're in the process to make pbsa without the
licensed Amber routines to be released with Ambertool 1.3.
All the best,
Ray
==========================================
Ray Luo, Ph.D.
Associate Professor
Dept Molecular Biology & Biochemistry
University of California, Irvine, CA 92697
USPS: PO Box 3900 Email: rluo.uci.edu
Phones: (949) 824-9528, 9562
Web: http://rayl0.bio.uci.edu/
==========================================
case wrote:
> Hi everyone:
>
> I have posted the first (alpha!) candidate for a tar file that will become
> release 1.3 of AmberTools here:
>
> http://ambermd.org/downloads/AmberTools.18sep09.tar.bz2
>
> This was built from CVS today (9/18), but remember that it is the tar file,
> not the CVS archive, that users actually get. So, if you have time, please
> test this out.
>
> There are a number of programs that used to be in Amber that are now in
> AmberTools, including pbsa (Ray: is this correct?), ambpdb and protonate.
> Two new codes are sqm (stand-alone semiempirical qchem program, still looking
> for a better name) and chamber. Other major changes include parallel ptraj,
> much improved xmin and lmod searching in nab, and lots of minor improvements,
> many of which are not covered in the bugfixes, which is one big reason why we
> need a new release.
>
> The users' manual needs a lot of work...we need to get docs for chamber in
> there, plus port documentation for pbsa from the Amber manual, plus go over
> everything as carefully as possible to bring things up to date, provide more
> examples, re-write confusing sections, and so on.
>
> My goal is to have a release by Oct. 31. Please do what you can to help out.
>
> ...thx...dac
>
>
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>
>
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Received on Fri Sep 18 2009 - 20:30:01 PDT
