####################################################################### # # # iAPBS Release 3.9.0 ChangleLog # # ####################################################################### Release 3.9.0 April 4, 2023 - Updated to work with the upcoming AmberTools 23 - Using the latest APBS (3.4.1) ---------------------------------------------------------------------- Release 3.8.0 April 20, 2020 - Updated to work with the upcoming Amber 20 ---------------------------------------------------------------------- Release 3.7.0 March 19, 2018 - Updated to work with the upcoming Amber 18 - Fixed spurious debugging message ---------------------------------------------------------------------- Release 3.6.0 May 25, 2017 - Updated to work with the latest charmm version (c41b2) ---------------------------------------------------------------------- Release 3.5.0 January 27, 2016 - Updated for the latest APBS git release - Updated the NAMD module to work with NAMD 2.11 ---------------------------------------------------------------------- Release 3.4.0 November 20, 2014 - Updated the NAMD module to work with NAMD 2.10b2 - Switched to using github in instructions ---------------------------------------------------------------------- Release 3.3.0 May 27, 2014 - Switched to dynamic memory allocation in the Amber module. - Updated the Amber module to work with Amber14. ---------------------------------------------------------------------- Release 3.2.0 September 3, 2013 - Fixed a bug in modules/Amber/amber.f90 (reported by Marek Maly) ---------------------------------------------------------------------- Release 3.1.0 March 15, 2013 - The NAMD module has been updated to work with NAMD version 2.9. - Several small bug fixes in the CHARMM module. ---------------------------------------------------------------------- Release 3.0.0 February 7, 2013 - The API has been extended, support for grid data writing and reading on the fly added. - New application module for Rosetta, thanks to Sachko Honda. This module is distributed with Rosetta. ---------------------------------------------------------------------- Release 2.3.0, December 6, 2012 - Converted to use cmake - Tighter integration with APBS build process. Now builds with "cmake -DENABLE_iAPBS=ON .." ---------------------------------------------------------------------- Release 2.2.0, October 10, 2012 - Updated to work with the latest APBS git code ---------------------------------------------------------------------- Release 2.1.0, January 11, 2012 - Updated Amber, NAMD and CHARMM modules. - Fixed a couple of low priority bugs. ---------------------------------------------------------------------- Release 2.0.0, December 8, 2011 - iAPBS is included in APBS - Updated apolar section of the code. - Cleaned tests. ---------------------------------------------------------------------- Release 1.2.0, March 15, 2011 - Support for NAMD pre-2.8. - Hooks for zlib support. ---------------------------------------------------------------------- Release 1.1.0, February 28, 2011 - Updated for APBS 1.3 - Added a feature for writing numbered elstat potential files during an MD in Amber - Updated CHARMM module, docs and test cases ---------------------------------------------------------------------- Release 1.0.0, November 18, 2009 - Updated the NAMD module for NAMD version 2.7b2 and the current CVS tree. - Updated the Amber module to work with Amber11 CVS tree. ---------------------------------------------------------------------- Release 0.8.0, April 30, 2009 - Updated the NAMD module and associated files for NAMD version 2.7b1 and newer. Extended the NAMD module functionality for writing and reading APBS maps. This is a release candidate for an official NAMD module release. ---------------------------------------------------------------------- Release 0.7.0, April 7, 2009 - Added patch for CHARMM c35b2 ---------------------------------------------------------------------- Release 0.6.0, Jan 14, 2009 - Added support for diel and kappa map reading/writing. - Added support for charge map reading. - CHARMM and Amber modules updated for the new functionality. ---------------------------------------------------------------------- Release 0.5.0, Oct 14, 2008 - Added rudimentary MPI support ---------------------------------------------------------------------- Release 0.4.0, Sep 22, 2008 - A fix for APBS memory leak for multiple iAPBS calls. ---------------------------------------------------------------------- Release 0.3.0, May 28, 2008 - Updated the interface to match APBS version 1.0.0 - Added basic NAMD module support. ---------------------------------------------------------------------- Release 0.2.0, June 21, 2006 - Updated the interface to match APBS version 0.4.0. - Amber module available together with docs and examples. - Manual installation converted to autotools. - Added support for linking with C++ applications (thanks to Gernot Kieseritzky). ---------------------------------------------------------------------- Release 0.1.0 May 25, 2005 - Initial public release. - CHARMM module available with docs and examples.