Biomolecular simulations with "Abalone"

DNA modeling

Biomolecular dynamics simulations of
proteins, DNA, ligands.

  • Molecular graphics
  • Molecular model building
  • Geometry optimization
  • Molecular dynamics simulations
  • Hybrid Monte Carlo
  • Adaptive Temperature Hybrid Monte Carlo
  • Replica exchange
  • Implicit and explicit water models
  • Interaction with quantum programs.
  • GPU acceleration

Abalone is a general purpose molecular modeling program focused on molecular dynamics of biopolymers. In addition, it can interact with external quantum chemical programs ORCA, NWChem, CP2K and PC GAMESS/Firefly).

 

 

 

 

Software for


Tutor

 

Manual

Benchmarking