Dataset

Molecular simulation scripts for slit nanopores with tunable hydrophilicity

GROMACS molecular simulation input files for slit nanopores filled with liquid water. Initial configuration can be generated using the Python script build_system.py. Use the bash script run_gmx.sh to run GROMACS. See the README.md file.

Chemical Info

Data and Resources

Molecular simulation scripts for slit...HTML

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Metadata Information

Field	Value
DOI	https://doi.org/10.18419/DARUS-3732
License URL
Source	https://doi.org/10.18419/DARUS-3732
Version
Author	Gravelle, Simon
Maintainer	DaRUS
Language
MetadataPublished
Related Molecule

Field	Value
No additional information available for this Dataset.

Data-Source Molecule ID	Data-Source





The data in this table is sourced from UniChem at EBI.