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us_8.4 | LNP-endosome siRNA translocation: umbrella sampling window 8.4 nm (fixed protonation) | MDRepo
Records
LNP-endosome siRNA translocation: umbrella sampling window 8.4 nm (fixed protonation)
Experiments
us_8.4
Overview
MD-A00C5F
LNP-endosome siRNA translocation: umbrella sampling window 8.4 nm (fixed protonation)
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Overview
Trajectory viewer
Analyses
Force Field & Water Model
Force field
CHARMM36
Water model
TIP3P
Simulation Parameters
Frames
45
Frequency
N/A
Simulation length
N/A
Timestep
2 fs
Temperature
303.15 K
Ensemble
NPT
Simulation Box
Box type
cubic
X
398.506 nm
Y
398.506 nm
Z
398.506 nm
Box volume
63,285,560.81 nm³
System Composition
Total system
936,847
atoms
7,969
residues
Protein
0
atoms
0
residues
Nucleic acids
638
atoms
20
residues
Lipids
898,667
atoms
7,651
residues
Carbohydrates
0
atoms
0
residues
Solvent
0
atoms
Counter-Ions
Cations (+)
0
Anions (-)
0
Total ions
0
0
residues