Molecular simulation scripts for bulk solutions
收藏DaRUS2023-01-01 更新2026-04-16 收录
下载链接：
https://darus.uni-stuttgart.de/citation?persistentId=doi:10.18419/darus-3179
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资源简介：
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.
创建时间：
2023-01-01
