251 to 260 of 323 Results
Mar 9, 2023 -
Molecular simulation scripts for slit nanopores
Fixed Field Text Data - 171 B -
MD5: 41b7ea675ed69212ed7ce21e3c23a2fe
NaCl wall positions |
Mar 9, 2023 -
Molecular simulation scripts for slit nanopores
Unknown - 2.2 KB -
MD5: 1f6edd60d559b2df71b6e33af75f7c2f
GROMACS input file |
Mar 9, 2023 -
Molecular simulation scripts for slit nanopores
Unknown - 2.2 KB -
MD5: e58de02f3fb7306b2087c469605b4795
GROMACS input file |
Mar 9, 2023 -
Molecular simulation scripts for slit nanopores
Markdown Text - 702 B -
MD5: 6911101bd9e28fcef1923165b6ffbba7
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Mar 9, 2023 -
Molecular simulation scripts for slit nanopores
Shell Script - 548 B -
MD5: 1361742c3203faab21d182abc9ad8d5e
Bash script |
Mar 9, 2023 -
Molecular simulation scripts for slit nanopores
Shell Script - 548 B -
MD5: 1361742c3203faab21d182abc9ad8d5e
Bash script |
Mar 9, 2023 -
Molecular simulation scripts for slit nanopores
application/vnd.shana.informed.formtemplate - 933 B -
MD5: 1e996387ad050a7f9b8fbc84ae4abd4e
GROMACS ff file |
Mar 9, 2023 -
Molecular simulation scripts for slit nanopores
Unknown - 164 B -
MD5: f630cf5c817b9271fa4fef71eb6831b1
GROMACS topology file |
Mar 9, 2023 -
Molecular simulation scripts for slit nanopores
Unknown - 182 B -
MD5: 372fdaff8d2edd874dce4f169a8f18bd
GROMACS topology file |
Mar 8, 2023 - NMR investigation of water confined by salt interface
Gravelle, Simon; Holm, Christian; Schlaich, Alexander, 2023, "Molecular simulation scripts for bulk solutions", https://doi.org/10.18419/DARUS-3179, DaRUS, V1
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. |