Project files provided as supporting information to the manuscript "Coarse-grained Mori-Zwanzig dynamics in a time-non-local stationary-action framework"

<strong>Project files provided as supporting information to the manuscript "Coarse-grained Mori-Zwanzig dynamics in a time-non-local stationary-action framework"</strong> <br> GLE Optimization: Optimizator of GLE parameters. Uses Matlab MD_GLE: CG GLE and LE simulator. Uses Matlab Water_simulation: Folders for atomistic water system simulation with GROMACS. It requires to be run on Linux with GROMACS <br> and VOTCA packages installed.**本项目文件为手稿《时间非局域平稳作用量框架下的粗粒化Mori-Zwanzig动力学》提供支撑材料**<br>GLE优化：广义朗之万方程（Generalized Langevin Equation，GLE）参数优化器。采用Matlab实现的MD_GLE工具：粗粒化（Coarse-grained，CG）GLE与朗之万方程（Langevin Equation，LE）模拟器。配套Matlab Water_simulation工具集：包含用于结合GROMACS开展原子级水系统模拟的文件夹。该项目需在已安装GROMACS<br>与VOTCA软件包的Linux环境中运行。