Trajectory 17

Order parameters quality = N/A

Computational methods Simulation metadata
System 500POPE_25000SOL_50SOD_50CLA_310K
Author(s) PEÓN, ANTONIO
Date 05/10/2021
DOI 10.5281/zenodo.2577454
Publication N/A
Force field CHARMM36 and CHARMM TIP3P
Simulation length (ps) 100010
Trajectory size 5149412976
Pre-equilibration time 400
Time left out 0
Temperature (K) 310
Number of particles 137600
Software gromacs
Ions 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), SOD(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 : 4.6 nm
Area per lipid : 54.4 Å2