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379_rep3 | mdCATH 1a9xB01 | MDRepo
Records
mdCATH 1a9xB01
Experiments
379_rep3
Overview
MD-A007YS
mdCATH 1a9xB01
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Overview
Trajectory viewer
Analyses
Force Field & Water Model
Force field
CHARMM22*
Water model
TIP3P
Simulation Parameters
Frames
450
Frequency
1,000 ps
Simulation length
450 ns
Timestep
4 fs
Temperature
379 K
Ensemble
NVT
Simulation Box
Box type
cubic
X
N/A
Y
N/A
Z
N/A
Box volume
N/A
System Composition
Total system
2,287
atoms
150
residues
Protein
2,287
atoms
150
residues
Nucleic acids
N/A
atoms
N/A
residues
Lipids
0
atoms
0
residues
Carbohydrates
0
atoms
0
residues
Solvent
0
atoms
Counter-Ions
Cations (+)
0
Anions (-)
0
Total ions
0
0
residues