MDRepo
/
Communities
My depositions
New Deposition
EN
Log in
replica 1 | MDBind 3kej 2 | MDRepo
Records
MDBind 3kej 2
Experiments
replica 1
Overview
MD-A007FP
MDBind 3kej 2
Back to record
Overview
Trajectory viewer
Analyses
Force Field & Water Model
Force field
Amber ff14SB
GAFF
Water model
TIP3P
Simulation Parameters
Frames
50
Frequency
200 ps
Simulation length
10 ns
Timestep
2 fs
Temperature
N/A
Ensemble
N/A
Simulation Box
Box type
N/A
X
6.603 nm
Y
6.858 nm
Z
6.332 nm
Box volume
286.75 nm³
System Composition
Total system
2,586
atoms
169
residues
Protein
2,533
atoms
163
residues
Nucleic acids
0
atoms
0
residues
Lipids
0
atoms
0
residues
Carbohydrates
0
atoms
0
residues
Solvent
0
atoms
Counter-Ions
Cations (+)
0
Anions (-)
0
Total ions
0
0
residues