Trajectory 879

Order parameters quality = N/A

Computational methods Simulation metadata
System POPC, 44 w/l, 300 K, 0.2 M NaCl
Author(s) Kurki, Milla
Date 06/01/2026
DOI 10.5281/zenodo.10202795
Publication 10.1021/acs.jcim.2c00395
Force field OPLS3e
Simulation length (ps) 999600
Trajectory size 19979812496
Pre-equilibration time 0
Time left out 0
Temperature (K) 300
Number of particles 53504
Software gromacs
Ions SOD(32), CLA(32), SOD(32), CLA(32), SOD(32), CLA(32), SOD(32), CLA(32), SOD(32), CLA(32), SOD(32), CLA(32), SOD(32), CLA(32), SOD(32), CLA(32), SOD(32), CLA(32), SOD(32), CLA(32), SOD(32), CLA(32), SOD(32), CLA(32), SOD(32), CLA(32), SOD(32), CLA(32), SOD(32), CLA(32), SOD(32), CLA(32), SOD(32), CLA(32)
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
Download Mapping File main

Related experiments:

Article DOI Internal ID Type Temperature Actions

Order Parameters POPC

Download JSON main

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 : 66.2 Å2