Open source and free software

The following is a non exhaustive list of open source and free software I wrote as main author, or to which I significantly contributed as collaborator :

  • mc_LJ : C program for MC simulations applied to Lennard Jones clusters ; used for producing some results of the SA-MC article
  • langevin_LJ : Langevin and Brownian Dynamics on LJ clusters using openMM interface
  • kmeans_proteins_clusters : C++ implementation of the kmeans algorithm for finding clusters of stable microstates when studying ligand migration in proteins
  • read_dcd c++ class and main file example for reading a charmm dcd trajectory
  • rmsd C program for calculating rmsd from a charmm DCD file