Thin Film Water on NaCl(100)

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Publication Year: 2022

11 to 20 of 29 Results

ForGROMACS.ipynb Mar 25, 2022 - Molecular simulation scripts for thin film water on NaCl surface Jupyter Notebook - 9.6 KB - MD5: 95d54368fb0e46828e822a733a72c2d3 Python notebook for generating initial GROMACS configuration files.
ForGROMACS.py Mar 25, 2022 - Molecular simulation scripts for thin film water on NaCl surface Python Source Code - 5.5 KB - MD5: 71380a3b02cbf1ffb0ef83c9b72f0632 Python script for generating initial GROMACS configuration files.
ForLAMMPS.ipynb Mar 25, 2022 - Molecular simulation scripts for thin film water on NaCl surface Jupyter Notebook - 8.5 KB - MD5: 3a1181d5d5a678467be006b7e66777fd Python notebook for generating initial LAMMPS configuration files.
ForLAMMPS.py Mar 25, 2022 - Molecular simulation scripts for thin film water on NaCl surface Python Source Code - 5.0 KB - MD5: f20f3bc50aa945af7e4b97de28c05196 Python script for generating initial LAMMPS configuration files.
H2OTip4p.txt Mar 25, 2022 - Molecular simulation scripts for thin film water on NaCl surface Plain Text - 437 B - MD5: a47aea84fc1560d71aaf19034190de8e Water molecule configuration file.
input.GCMC.lammps Mar 25, 2022 - Molecular simulation scripts for thin film water on NaCl surface Unknown - 1.6 KB - MD5: 3750c0298695d0a2351d00069367669f LAMMPS input script for GCMC step.
input.lammps Mar 25, 2022 - Molecular simulation scripts for thin film water on NaCl surface Unknown - 1.8 KB - MD5: 7d3e3c846558163fa357c07d50fd822b LAMMPS input file.
input.MD.lammps Mar 25, 2022 - Molecular simulation scripts for thin film water on NaCl surface Unknown - 840 B - MD5: 82afc857697c304deb62e246ec33e1ff LAMMPS input script for MD step.
ions.itp Mar 25, 2022 - Molecular simulation scripts for thin film water on NaCl surface application/vnd.shana.informed.formtemplate - 513 B - MD5: 91a1fe291942cde5ba69960b60db23ce Force field parameter file for the ions.
NaClCrystalStructure.dat Mar 25, 2022 - Molecular simulation scripts for thin film water on NaCl surface Fixed Field Text Data - 171 B - MD5: 41b7ea675ed69212ed7ce21e3c23a2fe NaCl initial crystal structure

ForGROMACS.ipynb

Mar 25, 2022 - Molecular simulation scripts for thin film water on NaCl surface

Jupyter Notebook - 9.6 KB -

Python notebook for generating initial GROMACS configuration files.

ForGROMACS.py

Mar 25, 2022 - Molecular simulation scripts for thin film water on NaCl surface

Python Source Code - 5.5 KB -

Python script for generating initial GROMACS configuration files.

ForLAMMPS.ipynb

Mar 25, 2022 - Molecular simulation scripts for thin film water on NaCl surface

Jupyter Notebook - 8.5 KB -

Python notebook for generating initial LAMMPS configuration files.

ForLAMMPS.py

Mar 25, 2022 - Molecular simulation scripts for thin film water on NaCl surface

Python Source Code - 5.0 KB -

Python script for generating initial LAMMPS configuration files.

H2OTip4p.txt

Mar 25, 2022 - Molecular simulation scripts for thin film water on NaCl surface

Plain Text - 437 B -

Water molecule configuration file.

input.GCMC.lammps

Mar 25, 2022 - Molecular simulation scripts for thin film water on NaCl surface

Unknown - 1.6 KB -

LAMMPS input script for GCMC step.

input.lammps

Mar 25, 2022 - Molecular simulation scripts for thin film water on NaCl surface

Unknown - 1.8 KB -

LAMMPS input file.

input.MD.lammps

Mar 25, 2022 - Molecular simulation scripts for thin film water on NaCl surface

Unknown - 840 B -

LAMMPS input script for MD step.

ions.itp

Mar 25, 2022 - Molecular simulation scripts for thin film water on NaCl surface

application/vnd.shana.informed.formtemplate - 513 B -

Force field parameter file for the ions.

NaClCrystalStructure.dat

Mar 25, 2022 - Molecular simulation scripts for thin film water on NaCl surface

Fixed Field Text Data - 171 B -

NaCl initial crystal structure

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