MDRepo
Browse
Communities
My depositions
New Deposition
EN
Log in
replica_6 | Horizontal SoD COM-restrained +100 mV with prosECCo75 applied to FE2P only - replica 6 | MDRepo
Records
Horizontal SoD COM-restrained +100 mV with prosECCo75 applied to FE2P only - replica 6
Experiments
replica_6
Overview
MD-A00C4M
Horizontal SoD COM-restrained +100 mV with prosECCo75 applied to FE2P only - replica 6
Back to record
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
78.449 nm
Y
78.449 nm
Z
89.469 nm
Box volume
550,607.80 nm³
System Composition
Total system
29,009
atoms
601
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 (+)
169
Anions (-)
178
Total ions
347
0
residues