251 to 260 of 318 Results
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. |
Mar 8, 2023 -
Molecular simulation scripts for bulk solutions
Unknown - 355 B -
MD5: e1f3747cba280eb7f8128a90ece45689
GROMACS ff file |
Mar 8, 2023 -
Molecular simulation scripts for bulk solutions
Unknown - 349.2 KB -
MD5: fe6d6c868091c51d3fe2b21fabaaa009
GROMACS configuration file |