Molecular dynamics input scripts for GROMACS, and data analysis scripts in Python.
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1 to 10 of 18 Results
atomtypes.atp
Oct 11, 2023 - Molecular simulation scripts for slit nanopores with tunable hydrophilicity
Unknown - 315 B - MD5: f8ada65d26cb314233b2121b3ccc0536
GROMACS FF file
build_system.py
Oct 11, 2023 - Molecular simulation scripts for slit nanopores with tunable hydrophilicity
Python Source Code - 13.7 KB - MD5: 3fac207caae9cef36bdd27e8f2108783
Python script for creating the system
conf.gro
Oct 11, 2023 - Molecular simulation scripts for slit nanopores with tunable hydrophilicity
Unknown - 228.1 KB - MD5: cdefa5919b5eae0bcdba2380a63e6d1a
GROMACS GRO file
ffnonbonded.itp
Oct 11, 2023 - Molecular simulation scripts for slit nanopores with tunable hydrophilicity
application/vnd.shana.informed.formtemplate - 468 B - MD5: 6f833fcaa6417083fe054ff34a53176b
GROMACS FF file
forcefield.itp
Oct 11, 2023 - Molecular simulation scripts for slit nanopores with tunable hydrophilicity
application/vnd.shana.informed.formtemplate - 192 B - MD5: ac367ba6268f866b82f07b120ab4421e
GROMACS FF file
ions.txt
Oct 11, 2023 - Molecular simulation scripts for slit nanopores with tunable hydrophilicity
Plain Text - 222 B - MD5: 8e84b49d3559b3ba890fb1f6d56ef194
topology file for ions
molecules.itp
Oct 11, 2023 - Molecular simulation scripts for slit nanopores with tunable hydrophilicity
application/vnd.shana.informed.formtemplate - 902 B - MD5: 6d9a36576f4ab68f51f42c49b5c90b29
GROMACS FF 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
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