Tutorial

• SMArt
  • Welcome to Simulation & Modelling Art
    • importing
  • parsing / writing
    • GROMOS
      • Force field
      • Topology
      • some operations with the topology object
    • GROMACS
      • Force field
      • Topology
  • g2g (converting between GROMOS and GROMACS formats)
• some additional features
• Perturbation topologies
• Alternative MCS search options
  • no bond perturbations allowed
  • add RMSD
• EDS topology