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replica 5 | MDBind 4c1u 2 | MDRepo

MDBind 4c1u 2

Open

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

MD-A007GQ

Created: 20 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 3
replica 4
replica 510 ns
replica 610 ns
replica 710 ns
replica 810 ns
replica 910 ns
replica 10

replica 5

Trajectory

5,961 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

5,961

Box

7.410 x 8.580 x 7.278 nm462.69 nm³

Composition

Total system5,961 atoms · 397 residues
Protein5,907 atoms · 396 residues
Nucleic acids0 atoms · 0 residues
Lipids0 atoms · 0 residues
Carbohydrates54 atoms · 1 residues
Solvent0 atoms · 0 residues

Counter-ions

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