GitHub topics: reactive-molecular-dynamics
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: MATLAB - Size: 20.8 MB - Last synced at: 27 days ago - Pushed at: 27 days ago - Stars: 38 - Forks: 9
HITS-MBM/kimmdy
reactive MD python pipeline for GROMACS using Kinetic Monte Carlo / Molecular Dynamics (KIMMDY)
Language: Python - Size: 4.71 MB - Last synced at: over 1 year ago - Pushed at: over 5 years ago - Stars: 6 - Forks: 3
