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replica_3 | DDPC Horizontal SoD COM-restrained +100 mV with NBFIX - replica 3 | MDRepo
Records
DDPC Horizontal SoD COM-restrained +100 mV with NBFIX - replica 3
Experiments
replica_3
Overview
MD-A00C4Q
DDPC Horizontal SoD COM-restrained +100 mV with NBFIX - replica 3
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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
310 K
Ensemble
NVT
Simulation Box
Box type
orthogonal
X
86.722 nm
Y
86.722 nm
Z
69.197 nm
Box volume
520,411.93 nm³
System Composition
Total system
22,304
atoms
676
residues
Protein
0
atoms
0
residues
Nucleic acids
0
atoms
0
residues
Lipids
21,244
atoms
226
residues
Carbohydrates
0
atoms
0
residues
Solvent
0
atoms
Counter-Ions
Cations (+)
215
Anions (-)
227
Total ions
442
0
residues