Molecular simulation scripts for slit nanopores

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.