Molecular Modeling

Under Windows



DL_POLY is a general purpose serial and parallel molecular dynamics simulation package.

MOIL Source | Win | Linux/Unix | Mac
MOIL - A public domain molecular modeling software. Moil supports the usual set of tools for molecular modeling by classical mechanics, including energy calculations, energy minimization, molecular dynamics, and more.

MOLDY Win | Linux/Unix
Moldy is a general-purpose molecular dynamics simulation program. It is sufficiently flexible that it ought to be useful for a wide range of simulation calculations of atomic, ionic and molecular systems.

NAMD Source | Win | Linux/Unix | Mac
NAMD is a parallel, object-oriented molecular dynamics code designed for high-performance simulation of large biomolecular systems. Simulation preparation and analysis is integrated into the visualization package VMD.

Tinker Source | Win | Linux/Unix | Mac
The TINKER molecular modeling software is a complete and general package for molecular mechanics and dynamics, with some special features for biopolymers.

YASARA Win | Linux/Unix | Mac
YASARA is a molecular-graphics, -modeling and -simulation program for Windows, Linux and Mac OS X.