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replica_1 | Dimeric Horizontal SoD COM-unrestrained +100 mV with NBFIX - replica 1 | MDRepo
Records
Dimeric Horizontal SoD COM-unrestrained +100 mV with NBFIX - replica 1
Experiments
replica_1
Overview
MD-A00C4Y
Dimeric Horizontal SoD COM-unrestrained +100 mV with NBFIX - replica 1
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Overview
Trajectory viewer
Analyses
Force Field & Water Model
Force field
CHARMM36
CGenFF
Water model
TIP3P
Simulation Parameters
Frames
5,001
Frequency
50 ps
Simulation length
250.05 ns
Timestep
2 fs
Temperature
293 K
Ensemble
NVT
Simulation Box
Box type
orthogonal
X
75.292 nm
Y
75.292 nm
Z
94.024 nm
Box volume
533,004.22 nm³
System Composition
Total system
26,914
atoms
608
residues
Protein
0
atoms
0
residues
Nucleic acids
0
atoms
0
residues
Lipids
25,308
atoms
222
residues
Carbohydrates
0
atoms
0
residues
Solvent
0
atoms
Counter-Ions
Cations (+)
173
Anions (-)
197
Total ions
370
0
residues