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  1. Records
  2. MDBind 4cp5
  3. Experiments
  4. replica 7
  5. Overview
MD-A007IL

MDBind 4cp5

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
Warnings
  • Could not find a frame in the trajectory respecting all bonds if bonds were guessed according to atom coordinates and radius. The main PDB structure is a default structure and it would be considered to have wrong bonds if they were predicted as previously stated.

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
9.095 nm
Y
6.088 nm
Z
9.699 nm
Box volume
537.04 nm³

System Composition

Total system
7,027atoms454residues
Protein
6,987atoms453residues
Nucleic acids
0atoms0residues
Lipids
0atoms0residues
Carbohydrates
0atoms0residues
Solvent
0atoms0residues

Counter-Ions

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