Ascalaph

Ascalaph  suite
for Molecular Mechanics simulations

http://www.biomolecular-modeling.com/Ascalaph/index.html



General Features:

    * Molecular graphics

    * Model building

    * Optimization

    * Molecular dynamics

    * Quantum modelling with aid of NWChem, CP2K or Firefly

    * Parallel molecular dynamics on Linux clusters with aid of MDynaMix

    * Hardware-accelerated simulations using CUDA

    * Implicit and explicit water models