Dataset

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.

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Data and Resources

Metadata Information

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Author Gravelle, Simon, Holm, Christian, Schlaich, Alexander
Maintainer DaRUS
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MetadataCreated 2023-05-08T19:14:04.062901
MetadataModified 2023-05-08T19:14:04.062907
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