Published August 23, 2018 | Version v1
Dataset Open

Berger pure POPC MD simulation (300 K - 300ns - 1 bar)

  • 1. Laboratoire LitCh, Université de Poitiers (France)
  • 2. Laboratoire des Biomolécules, CNRS, Sorbonne Université, ENS

Description

Berger POPC pure bilayer simulation (300 K, with 256 POPC lipids fully hydrated with 40 water molecules per lipid). The trajectory contains the whole simulation from 0 to 300 ns skipped every 100 ps and centered on the P atoms. No ions were added as there is no global net charge in the system. This bilayer was used to calculate the order parameter and the area per lipid for the NMRlipids IV project (on the time window 100-300 ns).

 

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