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450_rep3 | mdCATH 12asA00 | MDRepo
Records
mdCATH 12asA00
Experiments
450_rep3
Overview
MD-A00C49
mdCATH 12asA00
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Overview
Trajectory viewer
Analyses
Force Field & Water Model
Force field
CHARMM22*
Water model
TIP3P
Simulation Parameters
Frames
430
Frequency
1,000 ps
Simulation length
430 ns
Timestep
4 fs
Temperature
450 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
5,091
atoms
327
residues
Protein
5,091
atoms
327
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