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replica 3 | MDBind 4y2x | MDRepo

MDBind 4y2x

Open

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

MD-A005TC

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 2
replica 310 ns
replica 410 ns
replica 510 ns
replica 6
replica 710 ns
replica 8
replica 910 ns
replica 1010 ns

replica 3

Trajectory

8,706 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

8,706

Box

10.209 x 9.279 x 9.508 nm900.69 nm³

Composition

Total system8,706 atoms · 548 residues
Protein8,656 atoms · 546 residues
Nucleic acids0 atoms · 0 residues
Lipids0 atoms · 0 residues
Carbohydrates0 atoms · 0 residues
Solvent0 atoms · 0 residues

Counter-ions

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