Input files and workflow scripts for molecular simulations of salt crystal gr...

Set of GROMACS molecular dynamics input scripts, Python helper tools, and workflow scripts for simulating salt precipitation under controlled supersaturation. The repository...本数据集包含用于在可控过饱和度条件下模拟盐沉淀的GROMACS分子动力学输入脚本、Python辅助工具及工作流脚本，该代码仓库……