Molecular simulation scripts for slit nanopores
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https://darus.uni-stuttgart.de/citation?persistentId=doi:10.18419/darus-3180
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资源简介：
GROMACS molecular simulation input files for slit nanopores made of NaCl and Na2SO4 solid walls, and filled with respectively NaCl and Na2SO4 solutions. Initial configuration with a given 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. See the <a href="https://darus.uni-stuttgart.de/file.xhtml?fileId=198713">README.md</a> file.
提供机构：
DaRUS
创建时间：
2022-10-05
