[MMTK] Fwd: CCL: ANNOUNCE: Release of AmberTools, version 1.0
hinsen at cnrs-orleans.fr
Thu Apr 3 07:49:46 UTC 2008
Here is an announcement that could be of interest to MMTK users:
parts of the AMBER suite have been released separately as Open Source
Begin forwarded message:
> From: "David A. Case case[A]scripps.edu" <owner-chemistry at ccl.net>
> Date: 2. April 2008 18:49:20 GMT+02:00
> Subject: CCL: ANNOUNCE: Release of AmberTools, version 1.0
> 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
> 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.
> 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
> 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
> (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
> for what might be added, please contact us.
> (CHARMM users might note that antechamber can prepare parameters in
> 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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