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replica 10 | MDBind 2a29 | MDRepo

MDBind 2a29

Open

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

MD-A005NO

Created: 5 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 4
replica 5
replica 610 ns
replica 7
replica 810 ns
replica 910 ns
replica 1010 ns

replica 10

Trajectory

2,144 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

2,144

Box

6.841 x 6.094 x 5.550 nm231.37 nm³

Composition

Total system2,144 atoms · 137 residues
Protein2,100 atoms · 136 residues
Nucleic acids0 atoms · 0 residues
Lipids0 atoms · 0 residues
Carbohydrates44 atoms · 1 residues
Solvent0 atoms · 0 residues

Counter-ions

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