Ascalaph

Ascalaph  suite
for Molecular Mechanics simulations

molecular-modeling-software


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