We are proud to annouce the release of AmberTools.
AmberTools consists of several independently developed packages that work well
by themselves, and with Amber itself. The suite can also be used to carry
out complete molecular mechanics investigations (using NAB), but which are
restricted to gas-phase or generalized Born solvent models.
AmberTools currently consists of four main codes that were previously released
separately, and one new one:
nucleic acid builder (NAB)
http://www.scripps.edu/case/nab.html
antechamber
http://amber.scripps.edu/antechamber
ptraj
http://www.chpc.utah.edu/~cheatham/software.html
tleap and xleap
http://amber.scripps.edu
sleap New: replaces and expands tleap
These programs may also be of interest outside the Amber community. For
example, antechamber can create CHARMM-formatted parameter files, and ptraj
can analyze CHARMM trajectories.
We expect that AmberTools will be dynamic, and change and grow over time. This
initial release consists of programs that have previously been part of Amber
(including LEaP, antechamber and ptraj), along with NAB (Nucleic Acid
Builder), which has been released separately. Each of these packages (except
for sleap) has been in use for a long time. They are certainly not bug-free,
but you should be able to rely upon them in many circumstances. These are the
latest releases of these programs, and collect in one place codes that we have
been distributing for some time.
The programs here are mostly released under the GNU General Public License
(GPL). A few components are included that are in the public domain or which
have other, open-source, licenses. We hope to add new functionality to
AmberTools as additional programs become available. If you have suggestions
for what might be added, please contact us.
(CHARMM users might note that antechamber can prepare parameters in CHARMM
format, and ptraj can read and analyze CHARMM trajectories.)
To obtain AmberTools, go to: http://ambermd.org/#AmberTools
...dave case (for the Amber development team)
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Received on Fri Apr 18 2008 - 21:16:12 PDT
