Data of the thesis Molecular investigation of the energy decay of NADH

The data for the Bachelor Thesis of Julia Keil. It includes DOS calculations and non-equilibrium MD simulations. There are two different force fields, Charm and Amber, and three...本数据集为朱莉娅·凯尔（Julia Keil）的学士学位论文配套数据，包含态密度（Density of States, DOS）计算与非平衡分子动力学（Molecular Dynamics, MD）模拟内容，涵盖Charm与Amber两种不同的分子力场，以及三项……