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replica_6 | Bigger System Horizontal SoD COM-restrained +100 mV with NBFIX - rpelica 6 | MDRepo
Records
Bigger System Horizontal SoD COM-restrained +100 mV with NBFIX - rpelica 6
Experiments
replica_6
Overview
MD-A00C4P
Bigger System Horizontal SoD COM-restrained +100 mV with NBFIX - rpelica 6
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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
132.754 nm
Y
132.754 nm
Z
164.080 nm
Box volume
2,891,707.04 nm³
System Composition
Total system
90,764
atoms
3,370
residues
Protein
0
atoms
0
residues
Nucleic acids
0
atoms
0
residues
Lipids
87,552
atoms
768
residues
Carbohydrates
0
atoms
0
residues
Solvent
0
atoms
Counter-Ions
Cations (+)
1,291
Anions (-)
1,303
Total ions
2,594
0
residues