1. MD 牛顿力学, 软件程序 amber gromacs 等
2. MC 随机运动 软件程序 https://www.x-mol.com/groups/Dong/news/26018
3. BD 碰撞 软件程序 GeomBD http://chemcha-gpu0.ucr.edu/software/ and Browndye https://browndye.ucsd.edu/ It has functionality very similar to the packages SDA, GeomBD2, and MacroDox.