Data and code for: Elucidation of a dynamic interplay between a beta-2 adrenergic receptor, its agonist and stimulatory G protein

The dataset was collected based on our simulation setup files which were used by us to do conventional Equilibration, Production runs on Anton 2 supercomputer, and Gaussian accelerated molecular dynamics simulations (GaMD). The dataset also includes analyses and codes used for the analyses.本数据集基于我们的仿真配置文件构建，这些文件曾用于在Anton 2超级计算机上开展常规平衡模拟（Equilibration）、生产模拟运行（Production runs）以及高斯加速分子动力学模拟（Gaussian accelerated molecular dynamics simulations，GaMD）。本数据集还包含相关分析流程及分析所用的代码。