Trajectory 444

Order parameters quality = N/A

Computational methods Simulation metadata
System 128POPC_5120SOL_12SOD_12CLA_298K
Author(s) Girych Mykhailo; Ollila O. H. Samuli
Date 16/06/2022
DOI 10.5281/zenodo.30892
Publication N/A
Force field Ulmschneider
Simulation length (ps) 200010
Trajectory size 1633953356
Pre-equilibration time 5
Time left out 0
Temperature (K) 298.15
Number of particles 22040
Software gromacs
Ions SOD(12), CLA(12), SOD(12), CLA(12), SOD(12), CLA(12), SOD(12), CLA(12), SOD(12), CLA(12), SOD(12), CLA(12), SOD(12), CLA(12), SOD(12), CLA(12), SOD(12), CLA(12), SOD(12), CLA(12), SOD(12), CLA(12), SOD(12), CLA(12), SOD(12), CLA(12), SOD(12), CLA(12), SOD(12), CLA(12), SOD(12), CLA(12), SOD(12), CLA(12)
Water SOL
Lipids - L1 POPC (64)
Lipids - L2 POPC (64)
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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 : 4.5 nm
Area per lipid : 59.1 Å2