Release Notes: Numerous enhancements.
Release Notes: This release features ports to Itanium, Altix, Opteron/Athlon64/EMT64, Mac OS X Intel, Cray XT3, and IBM BlueGene/L. Serial performance was improved, especially on POWER and PowerPC. Adaptive Biasing Force Free Energy calculations, customizable Replica Exchange Simulations, and Tcl-Based Boundary Potentials were added. Memory use for unusual simulations was reduced. Support for CHARMM 31 Stream Files and CMAP Crossterms was added along with support for OPLS Force Field. Numerous bugfixes and code cleanups were made.
Release Notes: This version features many new additions.
Release Notes: There are very minor changes in this version, and it is considered a stable release.
Release Notes: Greatly improved parallel scaling with particle mesh Ewald, locally-enhanced sampling via multiple non-interacting images, alchemical free energy perturbation for mutation, ligands, etc., and GROMACS ASCII topology and coordinate input file compatibility.
Release Notes: This release contains bugfixes, better coordinate guessing in psfgen, and support for Mac OS X (Darwin). There were very few problem reports from 2.3b2, so this release should be quite stable.
Release Notes: This release contains AMBER parm and coordinate input file compatibility, as well as improved serial performance (particularly with PME on Alpha).
Release Notes: A new psfgen tool for building PSF structure files, simpler to run on a single workstation (no more rsh), and new ports to the Compaq AlphaServer SC and Scyld Beowulf.
Release Notes: Fixes for the remaining bugs in Windows and a port to Alpha Linux.
Release Notes: Several problems with Windows port were fixed.