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1 to 10 of 84 Results
min.mdp
Mar 1, 2024 - Supporting Information: Notebooks, Solute Configurations and Solvation Free Energy Data
Unknown - 528 B - MD5: d5fbcc179929eafc035feb8604f5c621
Gromacs simulation file for the minimization
npt.mdp
Mar 1, 2024 - Supporting Information: Notebooks, Solute Configurations and Solvation Free Energy Data
Unknown - 1.5 KB - MD5: 107a8b20d01f79cdc2f03a27406a31e8
Gromacs simulation file for the npt simulation step
nvt.mdp
Mar 1, 2024 - Supporting Information: Notebooks, Solute Configurations and Solvation Free Energy Data
Unknown - 1.4 KB - MD5: c3c71c3f1fe451427662e3e9bb9106a5
Gromacs simulation file for the nvt simulation step
run.mdp
Mar 1, 2024 - Supporting Information: Notebooks, Solute Configurations and Solvation Free Energy Data
Unknown - 1.5 KB - MD5: b32b06198de7f765e8b3eadd5d1c2957
Gromacs simulation file for the generation step
atomtypes.atp
Oct 11, 2023 - Molecular simulation scripts for slit nanopores with tunable hydrophilicity
Unknown - 315 B - MD5: f8ada65d26cb314233b2121b3ccc0536
GROMACS FF file
conf.gro
Oct 11, 2023 - Molecular simulation scripts for slit nanopores with tunable hydrophilicity
Unknown - 228.1 KB - MD5: cdefa5919b5eae0bcdba2380a63e6d1a
GROMACS GRO file
npt1000.mdp
Oct 11, 2023 - Molecular simulation scripts for slit nanopores with tunable hydrophilicity
Unknown - 535 B - MD5: 9bd000ced6c170691da07c3bfd367753
MDP GROMACS file
npt.mdp
Oct 11, 2023 - Molecular simulation scripts for slit nanopores with tunable hydrophilicity
Unknown - 536 B - MD5: af7461d7b44493f2beafd2cb8a181a43
MDP GROMACS file
nvt1.mdp
Oct 11, 2023 - Molecular simulation scripts for slit nanopores with tunable hydrophilicity
Unknown - 475 B - MD5: 61cb32882122f937190aebd42b6c25ed
MDP GROMACS file
nvt2.mdp
Oct 11, 2023 - Molecular simulation scripts for slit nanopores with tunable hydrophilicity
Unknown - 462 B - MD5: 420d0142b99cca08a96bd9383376d6f2
MDP GROMACS file
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