NAMD is a parallel, object-oriented molecular dynamics program designed for high-performance simulation of large biomolecular systems.
|Tags||Scientific/Engineering Bioinformatics Chemistry|
|Operating Systems||POSIX HP-UX AIX IRIX Linux Solaris Windows|
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.