Trajectory 872

Order parameters quality = N/A

Computational methods Simulation metadata
System POPC, 44 w/l, 300 K, 0.5 M NaCl
Author(s) Kurki, Milla
Date 06/01/2026
DOI 10.5281/zenodo.6342522
Publication 10.1021/acs.jcim.2c00395
Force field CHARMM36
Simulation length (ps) 440010
Trajectory size 8685679340
Pre-equilibration time 60
Time left out 0
Temperature (K) 300
Number of particles 53600
Software gromacs
Ions CLA(80), SOD(80), CLA(80), SOD(80), CLA(80), SOD(80), CLA(80), SOD(80), CLA(80), SOD(80), CLA(80), SOD(80), CLA(80), SOD(80), CLA(80), SOD(80), CLA(80), SOD(80), CLA(80), SOD(80), CLA(80), SOD(80), CLA(80), SOD(80), CLA(80), SOD(80), CLA(80), SOD(80), CLA(80), SOD(80), CLA(80), SOD(80), CLA(80), SOD(80)
Water TIP3
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 : 4.3 nm
Area per lipid : 62.8 Å2