Molecular Mechanics

Ascalaph and Abalone - our molecular mechanic packages

MDynaMix general purpose molecular dynamics code for simulations of mixtures
    Division of Physical Chemistry, Stockholm University

Amber - Assisted Model Building with Energy Refinement

GROMACS versatile package to perform molecular dynamics

CHARMM - Chemistry at HARvard Macromolecular Mechanics
    Harvard University and Accelrys, Inc.

BOSS & MCPRO - Biochemical and Organic Simulation System
    Yale University, Department of Chemistry


VMD & NAMD - Visual Molecular Dynamics
    Theoretical and Computational Biophysics Group.

TINKER - Software Tools for Molecular Design
    Chemistry Department, University of New Mexico.

PCMODEL     Serena Software.

YASARA - Yet Another Scientific Artificial Application     YASARA Biosciences.

Q     Molecular dynamics program
    Johan Åqvist Group at Uppsala University, Uppsala, Sweden.

MCCCS Towhee - Monte Carlo for Complex Chemical Systems
    Sandia National Laboratories.

LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
    Sandia Corporation.

Moldy     molecular dynamics of University of Oxford.

MMC     Metropolis Monte Carlo program.

ECEPPAK     molecular mechanics of Cornell University.

ICM     molecular mechanics from Molsoft.

More software...






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