Molecular simulation scripts for bulk solutions

GROMACS molecular simulation input files for bulk solutions of NaCl and Na2SO4. Initial configuration with different salt concentration can be generated using the Python script ConfigurationGenerator.py, and successive GROMACS runs can be performed by running the runall.sh Bash script.

GROMACS 分子动力学模拟输入文件，针对 NaCl 和 Na2SO4 的均相溶液。可通过 Python 脚本 ConfigurationGenerator.py 生成不同盐浓度的初始配置，并通过执行 runall.sh Bash 脚本来进行后续的 GROMACS 运行。