Trajectory 507

Order parameters quality = N/A

Computational methods Simulation metadata
System 288POPC_14446SOL_81SOD_81CLA_298K
Author(s) Javanainen, Matti; Tynkkynen, Joona
Date 17/01/2022
DOI 10.5281/zenodo.14976
Publication N/A
Force field MacRog
Simulation length (ps) 49700
Trajectory size 150347600
Pre-equilibration time 40
Time left out 0
Temperature (K) 298
Number of particles 82092
Software gromacs
Ions SOD(81), CLA(81), SOD(81), CLA(81), SOD(81), CLA(81), SOD(81), CLA(81), SOD(81), CLA(81), SOD(81), CLA(81), SOD(81), CLA(81), SOD(81), CLA(81), SOD(81), CLA(81), SOD(81), CLA(81), SOD(81), CLA(81), SOD(81), CLA(81), SOD(81), CLA(81), SOD(81), CLA(81), SOD(81), CLA(81), SOD(81), CLA(81), SOD(81), CLA(81)
Water SOL
Lipids - L1 POPC (144)
Lipids - L2 POPC (144)
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Lipids


POPC
  • Quality total: N/A
  • Quality headgroups: N/A
  • Quality tails: N/A
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Related experiments:

Article DOI Internal ID Type Temperature Actions

Order Parameters POPC

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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 : 4.1 nm
Area per lipid : 65.4 Å2