Trajectory 389

Order parameters quality = N/A

Computational methods Simulation metadata
System 250POPC_50POPS_11207SOL_50SOD_320K
Author(s) Nencini, Ricky
Date 01/10/2021
DOI 10.5281/zenodo.3371327
Publication N/A
Force field CHARMM36 with NBFIX
Simulation length (ps) 398900
Trajectory size 1093718212
Pre-equilibration time 0
Time left out 99
Temperature (K) 320
Number of particles 73521
Software gromacs
Ions SOD(50), SOD(50), SOD(50), SOD(50), SOD(50), SOD(50), SOD(50), SOD(50), SOD(50), SOD(50), SOD(50), SOD(50), SOD(50), SOD(50), SOD(50), SOD(50), SOD(50)
Water TIP3
Lipids - L1 POPS:POPC (25:125)
Lipids - L2 POPS:POPC (25:125)
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Lower leaflet

Lipids


POPS
  • Quality total: N/A
  • Quality headgroups: N/A
  • Quality tails: N/A
Download Mapping File main
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 POPS

Download JSON main

Group sn-1

Group sn-2

Group headgroup

Group glycerol backbone

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 : 4.3 nm
Area per lipid : 65 Å2