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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Molecular simulation scripts for bulk solutionsHTML
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Metadata Information

Field	Value
DOI
License URL
Source
Version
Author	Gravelle, Simon, Holm, Christian, Schlaich, Alexander
Maintainer	DaRUS
Language
MetadataCreated	2023-05-08T19:14:04.062901
MetadataModified	2023-05-08T19:14:04.062907
MetadataPublished

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