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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Received on Fri Sep 18 2009 - 20:00:02 PDT
