Google Summer of Code 2018: Molecular Dynamics

Adarsh Balasubramanian was a strong contributor to Avogadro2 this summer as part of Google Summer of Code

Adarsh contributed a number of key features:

• File import for many trajectory formats including:
  • PDB
  • LAMMPS dump files
  • GROMACS trr trajectories
  • DCD trajectory format (CHARMM, OpenMM, NAMD, LAMMPS)
  • VASP OUTCAR
  • Amber mdcrd files
• LAMMPS Input Generator
• OpenMM Input Generator
• Animation / Player tool overhaul
  • Native export to AVI and GIF
• Molecular dynamics analysis
  • RMSD VTK chart
  • Pair / Radial distribution function chart
• Rendering force vector arrows
• Improved residue classes

His full report is online