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replica 3 | MDBind 2k2r | MDRepo
Records
MDBind 2k2r
Experiments
replica 3
Overview
MD-A007IC
MDBind 2k2r
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Overview
Trajectory viewer
Analyses
Force Field & Water Model
Force field
Amber ff14SB
GAFF
Water model
TIP3P
Simulation Parameters
Frames
50
Frequency
200 ps
Simulation length
10 ns
Timestep
2 fs
Temperature
N/A
Ensemble
N/A
Simulation Box
Box type
N/A
X
6.853 nm
Y
6.019 nm
Z
5.189 nm
Box volume
214.03 nm³
System Composition
Total system
2,275
atoms
130
residues
Protein
2,125
atoms
129
residues
Nucleic acids
0
atoms
0
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