The Amber development team is pleased to announce the release of AmberTools15.
This is a significant update to AmberTools: http://ambermd.org/#AmberTools.
Among the new features:
* New generalized Born solvation parameters for nucleic acids
* New ("OPC") explicit water model
* New parameters for monatomic ions
* Generation of an API for sander and mdgx, allowing their functionality to
be accessed by third-party programs
* Support for implicit membrane models in PB and FEW (free energy workbench)
* Major updates and extensions to the cpptraj program for trajectory analysis
* Improved workflow for system preparation and validation
Please note:
If you already have AmberTools14, you do not need to download anything.
Simply type "./update_amber.py --upgrade" in your AMBERHOME directory.
(Follow the instructions: you will need to type this twice.) You
then need to re-run the configure script and re-compile.
If you are a new user, click on the "Download AmberTools15" link at
http://ambermd.org. Follow the installation instructions in the Reference
Manual.
(Special shout-out to Jason Swails and Scott Brozell for help in preparing
the release. See
http://ambermd.org/contributors.html for a fuller list of who
has contributed.)
...regards...dac
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon May 04 2015 - 06:30:04 PDT
