We are pleased to announce the release of AmberTools, version 1.3.
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. Version 1.3 contains updated versions of NAB, antechamber, LEaP,
ptraj and sleap. New to version 1.3 are:
(a) parallel options for trajectory analysis in ptraj;
(b) a quantum chemistry program, sqm, that implements various
semi-empirical and SCC-DFTB Hamiltonians;
(c) a Poisson-Boltzmann solver with a variety of useful options for energy
analysis using a continuum solvent model.
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.
For more information, please see
http://ambermd.org/#AmberTools.
...dave case, for the Amber Development Team:
http://ambermd.org/contributors.html
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Received on Mon Dec 21 2009 - 07:00:02 PST
