Bottom-up modeling of conducting porous materials via molecular simulation
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41 to 50 of 72 Results
molecules.rtp
Mar 9, 2023 - Molecular simulation scripts for slit nanopores
Unknown - 604 B - MD5: f3e13a2ce4a89e1509f6d5162cf3f7c0
GROMACS ff file
npt.mdp
Mar 9, 2023 - Molecular simulation scripts for slit nanopores
Unknown - 2.6 KB - MD5: 9522fdfe971916b170dc92b5da198f0c
GROMACS input file
nvt.mdp
Mar 9, 2023 - Molecular simulation scripts for slit nanopores
Unknown - 2.1 KB - MD5: 11a755f46961f1b4791b2b22c8acc888
GROMACS input file
Position.dat
Mar 9, 2023 - Molecular simulation scripts for slit nanopores
Fixed Field Text Data - 1017 B - MD5: 888996f06ac50eb12a056936c47a51b9
Position info SO4
Position.dat
Mar 9, 2023 - Molecular simulation scripts for slit nanopores
Fixed Field Text Data - 171 B - MD5: 41b7ea675ed69212ed7ce21e3c23a2fe
NaCl wall positions
prodHR.mdp
Mar 9, 2023 - Molecular simulation scripts for slit nanopores
Unknown - 2.2 KB - MD5: 1f6edd60d559b2df71b6e33af75f7c2f
GROMACS input file
prodLR.mdp
Mar 9, 2023 - Molecular simulation scripts for slit nanopores
Unknown - 2.2 KB - MD5: e58de02f3fb7306b2087c469605b4795
GROMACS input file
README.md
Mar 9, 2023 - Molecular simulation scripts for slit nanopores
Markdown Text - 702 B - MD5: 6911101bd9e28fcef1923165b6ffbba7
runall.sh
Mar 9, 2023 - Molecular simulation scripts for slit nanopores
Shell Script - 548 B - MD5: 1361742c3203faab21d182abc9ad8d5e
Bash script
runall.sh
Mar 9, 2023 - Molecular simulation scripts for slit nanopores
Shell Script - 548 B - MD5: 1361742c3203faab21d182abc9ad8d5e
Bash script
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