MDRepo
/
CommunitiesMy depositions
New Deposition
Log in
MDRepoNeed help? e-INFRA CZ helpdesk
Structure preview of MDBind 6czv

MDBind 6czv

Open

Pierre-yves Libouban;Pascal Bonnet;Samia Aci-Sèche;

MD-A005X2
Created
6 Feb 2026
License
This trajectory dataset is released under a Creative Commons Attribution 4.0 International Public License (opens in a new tab)
  • Overview
  • Experiments 10
  • People & affiliations 3

Runs

10
  • 1replica 110 ns
  • 2replica 210 ns
  • 3replica 310 ns
  • 4replica 410 ns
  • 5replica 510 ns
  • 6replica 610 ns
  • 7replica 710 ns
  • 8replica 810 ns
  • 9replica 910 ns
  • 10replica 1010 ns

replica 9

Trajectory

2,145 atomsFull system

Length
10 ns @ 2 fs
Frames
50 / 200 ps
Download trajectory

Loading structure.

Analysis

Download

Parameters

Length
10 ns@ 2 fs = 5,000,000 steps
Frames
501 frame every 200 ps
Force field
Amber ff14SB, GAFFwater model TIP3P
Atoms
2,145
Box
5.584 x 7.061 x 6.960 nm274.41 nm³
Composition
  • Total system2,145 atoms · 127 residues
  • Protein2,106 atoms · 126 residues
  • Nucleic acids0 atoms · 0 residues
  • Lipids0 atoms · 0 residues
  • Carbohydrates0 atoms · 0 residues
  • Solvent0 atoms · 0 residues
Counter-ions
  • 0Cations (+)
  • 0Anions (-)
  • 0Total ions