Trajectory 876

Order parameters quality = N/A

Computational methods Simulation metadata
System POPC, 44 w/l, 300 K, 0.1 M NaCl
Author(s) Kurki, Milla
Date 07/01/2026
DOI 10.5281/zenodo.10203643
Publication 10.1021/acs.jcim.2c00395
Force field OPLS3e
Simulation length (ps) 999730
Trajectory size 19966279432
Pre-equilibration time 0
Time left out 0
Temperature (K) 300
Number of particles 53472
Software gromacs
Ions SOD(16), CLA(16), SOD(16), CLA(16), SOD(16), CLA(16), SOD(16), CLA(16), SOD(16), CLA(16), SOD(16), CLA(16), SOD(16), CLA(16), SOD(16), CLA(16), SOD(16), CLA(16), SOD(16), CLA(16), SOD(16), CLA(16), SOD(16), CLA(16), SOD(16), CLA(16), SOD(16), CLA(16), SOD(16), CLA(16), SOD(16), CLA(16), SOD(16), CLA(16)
Water SPC
Lipids - L1 POPC (100)
Lipids - L2 POPC (100)
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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 : 66.4 Å2