Trajectory 544

Order parameters quality = N/A

Computational methods Simulation metadata
System 72POPC_2085SOL_13CLA_13NA_303K
Author(s) Ollila, Samuli
Date 21/12/2021
DOI 10.5281/zenodo.4750862
Publication N/A
Force field CHARMM36
Simulation length (ps) 60010
Trajectory size 2294878416
Pre-equilibration time 20
Time left out 0
Temperature (K) 303
Number of particles 15929
Software gromacs
Ions CLA(13), SOD(13), CLA(13), SOD(13), CLA(13), SOD(13), CLA(13), SOD(13), CLA(13), SOD(13), CLA(13), SOD(13), CLA(13), SOD(13), CLA(13), SOD(13), CLA(13), SOD(13), CLA(13), SOD(13), CLA(13), SOD(13), CLA(13), SOD(13), CLA(13), SOD(13), CLA(13), SOD(13), CLA(13), SOD(13), CLA(13), SOD(13), CLA(13), SOD(13)
Water SOL
Lipids - L1 POPC (36)
Lipids - L2 POPC (36)
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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 : 4.4 nm
Area per lipid : 61.2 Å2