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LAMMPS Simulation Files Supporting the Study "Molecular Dynamics Study of Hydrogen Bonding in Neutral Alginate: Structural Insights and Solvent Uptake Effects"
Citation Link: https://doi.org/10.15480/882.15182
Type
Simulation Data
Date Issued
2025-06-18
Author(s)
Korotenko, Vasilii
Abstract
This dataset contains input files for the LAMMPS program, each configured with specific simulation settings. The files are numbered from 1 to 5, corresponding to sequential simulation steps.
Subjects
Molecular Dynamics
Alginate
Hydrogen Bonding
LAMMPS
Solvent Uptake
DDC Class
541.3: Physical Chemistry
Funding Organisations
More Funding Information
This project is funded by the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) – SFB 1615 – 503850735.
License
No Thumbnail Available
Name
in.loop1.sh
Size
1.6 KB
Format
Unknown
No Thumbnail Available
Name
in.loop2.sh
Size
2.03 KB
Format
Unknown
No Thumbnail Available
Name
in.loop3.sh
Size
1.79 KB
Format
Unknown
No Thumbnail Available
Name
in.loop4.sh
Size
1.47 KB
Format
Unknown
No Thumbnail Available
Name
in.loop5.sh
Size
1.39 KB
Format
Unknown
No Thumbnail Available
Name
README.txt
Size
1.57 KB
Format
Text
Version History
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