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replica 3 | MDBind 4nq6 3 | MDRepo

MDBind 4nq6 3

Open

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

MD-A007DK

Created: 17 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

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replica 110 ns
replica 210 ns
replica 310 ns
replica 410 ns
replica 510 ns
replica 610 ns
replica 710 ns
replica 810 ns
replica 910 ns
replica 1010 ns

replica 3

Trajectory

3,588 atomsFull system

Length: 10 ns @ 2 fs
Frames: 50 / 200 ps

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Analysis

Parameters

Length

10 ns@ 2 fs = 5,000,000 steps

Frames

501 frame every 200 ps

Force field

Amber ff14SB, GAFFwater model TIP3P

Atoms

3,588

Box

6.678 x 6.683 x 7.404 nm330.42 nm³

Composition

Total system3,588 atoms · 225 residues
Protein3,479 atoms · 222 residues
Nucleic acids0 atoms · 0 residues
Lipids0 atoms · 0 residues
Carbohydrates0 atoms · 0 residues
Solvent0 atoms · 0 residues

Counter-ions

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