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replica_4 | Horizontal SoD COM-restrained +100 mV with prosECCo75 applied to all charged residues - replica 4 | MDRepo
Records
Horizontal SoD COM-restrained +100 mV with prosECCo75 applied to all charged residues - replica 4
Experiments
replica_4
Overview
MD-A00C4I
Horizontal SoD COM-restrained +100 mV with prosECCo75 applied to all charged residues - replica 4
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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
78.117 nm
Y
78.117 nm
Z
91.598 nm
Box volume
558,953.73 nm³
System Composition
Total system
29,014
atoms
606
residues
Protein
0
atoms
0
residues
Nucleic acids
0
atoms
0
residues
Lipids
28,044
atoms
246
residues
Carbohydrates
0
atoms
0
residues
Solvent
0
atoms
Counter-Ions
Cations (+)
170
Anions (-)
182
Total ions
352
0
residues