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.
matlab
vmd
molecular-dynamics-simulation
lammps
visulization
reactive-molecular-dynamics
reaxff
materials-studio
reaction-mechanism
statistic-analysis
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Updated
Apr 27, 2024 - MATLAB