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week-03.pptx week03.zip
3.1 MD概述
3.1-md_introduction.mp4
3.2 MD算法(力场)
3.2-md_algorithm_and_force_field.mp4
3.3 其他部分
周期性边界条件、质子化状态、系综
3.3-others_pbc_protonation_ensemble.mp4
3.4 文件格式
3.4-file_format.mp4
3.5 Demo
1_build
3.5.1-demo_1build.mp4
2_minimize/3_heat/4_equil/5_run
3.5.2-demo_2minimize_3heat_4equil_5run.mp4