MDRepo
/
CommunitiesMy depositions
New Deposition
Log in
MDRepoNeed help? e-INFRA CZ helpdesk
  1. Records
  2. MDBind 4u68
  3. Experiments
  4. replica 1
  5. Overview
MD-A0068E

MDBind 4u68

Back to record
  • replica 1
  • replica 2
  • replica 3
  • replica 4
  • replica 5
  • replica 6
  • replica 7
  • replica 8
  • replica 9
  • replica 10
OverviewTrajectory viewerAnalyses

Force Field & Water Model

Force field
  • Amber ff14SB
  • GAFF
Water modelTIP3P

Simulation Parameters

Frames
50
Frequency
200 ps
Simulation length
10 ns
Timestep
2 fs
Temperature
N/A
Ensemble
N/A

Simulation Box

Box typeN/A
X
7.380 nm
Y
6.793 nm
Z
5.488 nm
Box volume
275.12 nm³

System Composition

Total system
2,218atoms129residues
Protein
2,086atoms128residues
Nucleic acids
0atoms0residues
Lipids
0atoms0residues
Carbohydrates
0atoms0residues
Solvent
0atoms0residues

Counter-Ions

Cations (+)
0
Anions (-)
0
Total ions
0