Trajectory 57

Order parameters quality = N/A

Computational methods Simulation metadata
System 128POPC_6232SOL_110SOD_110CLA_313K
Author(s) Melcr, Josef
Date 02/02/2022
DOI 10.5281/zenodo.3335503
Publication 10.1101/2020.11.09.374850
Force field ECC-lipids
Simulation length (ps) 300020
Trajectory size 2011680040
Pre-equilibration time 0
Time left out 0
Temperature (K) 313
Number of particles 36068
Software gromacs
Ions SOD(110), CLA(110), SOD(110), CLA(110), SOD(110), CLA(110), SOD(110), CLA(110), SOD(110), CLA(110), SOD(110), CLA(110), SOD(110), CLA(110), SOD(110), CLA(110), SOD(110), CLA(110), SOD(110), CLA(110), SOD(110), CLA(110), SOD(110), CLA(110), SOD(110), CLA(110), SOD(110), CLA(110), SOD(110), CLA(110), SOD(110), CLA(110), SOD(110), CLA(110)
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 : 4.1 nm
Area per lipid : 64.1 Å2