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replica_1 | DCPC Horizontal SoD COM-unrestrained +100 mV with NBFIX - replica 1 | MDRepo
Records
DCPC Horizontal SoD COM-unrestrained +100 mV with NBFIX - replica 1
Experiments
replica_1
Overview
MD-A00C4T
DCPC 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
310 K
Ensemble
NVT
Simulation Box
Box type
orthogonal
X
86.482 nm
Y
86.482 nm
Z
71.897 nm
Box volume
537,728.42 nm³
System Composition
Total system
23,642
atoms
658
residues
Protein
0
atoms
0
residues
Nucleic acids
0
atoms
0
residues
Lipids
22,600
atoms
226
residues
Carbohydrates
0
atoms
0
residues
Solvent
0
atoms
Counter-Ions
Cations (+)
206
Anions (-)
218
Total ions
424
0
residues