Trajectory 469

Order parameters quality = N/A

Computational methods Simulation metadata
System 128POPC_5120SOL_77SOD_77CLA_298K
Author(s) Girych Mykhailo; Ollila O. H. Samuli
Date 03/01/2022
DOI 10.5281/zenodo.30865
Publication N/A
Force field Lipid14 for lipids and AMBER99SB-ILDN for ions
Simulation length (ps) 100010
Trajectory size 1213143844
Pre-equilibration time 105
Time left out 0
Temperature (K) 298.15
Number of particles 32666
Software gromacs
Ions SOD(77), CLA(77), SOD(77), CLA(77), SOD(77), CLA(77), SOD(77), CLA(77), SOD(77), CLA(77), SOD(77), CLA(77), SOD(77), CLA(77), SOD(77), CLA(77), SOD(77), CLA(77), SOD(77), CLA(77), SOD(77), CLA(77), SOD(77), CLA(77), SOD(77), CLA(77), SOD(77), CLA(77), SOD(77), CLA(77), SOD(77), CLA(77), SOD(77), CLA(77)
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
Download Mapping File main

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 : 4.2 nm
Area per lipid : 62.7 Å2