reactive-molecular-dynamics

There are 2 repositories under reactive-molecular-dynamics topic.

  • dadaoqiuzhi/RMD_Digging

    RMD_digging is aimed to provide pre-processing and post-processing tools for the reactive molecular dynamics (ReaxFF) simulations based on MATLAB language, including formatting the reactive force field parameters, statistic anasysis of structures, trajectories and mechanisms and output of the visualization files.

    Language:MATLAB36229

  • HITS-MBM/kimmdy

    reactive MD python pipeline for GROMACS using Kinetic Monte Carlo / Molecular Dynamics (KIMMDY)

    Language:Python11604