Augmenting Martini Coarse-Grained Model for Enhanced Flexibility and Conformational Transitions

Input files and output trajectories. All scripts and the step-by-step instructions on how to prepare coarse-grained topologies and run simulations with Gaussian contact networks and dual-basin potentials are provided in the GitHub repository, https://github.com/porekhov/gaussmartini输入文件与输出轨迹。所有脚本文件及利用高斯接触网络与双势阱势能制备粗粒化拓扑、运行模拟的分步操作指南，均已上传至该GitHub仓库：https://github.com/porekhov/gaussmartini