Trajectory 190

Order parameters quality = N/A

Computational methods Simulation metadata
System 500POPE_25000SOL_50SOD_50CLA_310K
Author(s) ANTONIO PEON
Date 17/05/2022
DOI 10.5281/zenodo.2574491
Publication N/A
Force field GROMOS-CKP
Simulation length (ps) 100010
Trajectory size 3789027428
Pre-equilibration time 400
Time left out 0
Temperature (K) 310
Number of particles 101100
Software gromacs
Ions SOD(50), CLA(50), SOD(50), CLA(50), SOD(50), CLA(50), SOD(50), CLA(50), SOD(50), CLA(50), SOD(50), CLA(50), SOD(50), CLA(50), SOD(50), CLA(50), SOD(50), CLA(50), SOD(50), CLA(50), SOD(50), CLA(50), SOD(50), CLA(50), SOD(50), CLA(50), SOD(50), CLA(50), SOD(50), CLA(50), SOD(50), CLA(50), SOD(50), CLA(50)
Water SOL
Lipids - L1 POPE (250)
Lipids - L2 POPE (250)
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Lower leaflet

Lipids


POPE
  • Quality total: N/A
  • Quality headgroups: N/A
  • Quality tails: N/A
Download Mapping File main

Related experiments:

Article DOI Internal ID Type Temperature Actions

Order Parameters POPE

Download JSON main

Group sn-1

Group sn-2

Group headgroup

Group glycerol backbone

Area per lipid

Form Factor

Experimental and Molecular Dynamics based descriptors

Quality of Order Parameters : N/A
OP Quality of headgroups: N/A
OP Quality of tails: N/A
FF Quality: N/A

Bilayer thickness : 4.3 nm
Area per lipid : 59.3 Å2