Trajectory 492

Order parameters quality = N/A

Computational methods Simulation metadata
System 64POPC_64POPS_5253SOL_64POT_298K
Author(s) Melcr, Josef
Date 13/01/2022
DOI 10.5281/zenodo.1487761
Publication N/A
Force field Lipid17 and Dang ions
Simulation length (ps) 1000020
Trajectory size 5952874240
Pre-equilibration time 50
Time left out 0
Temperature (K) 298
Number of particles 32527
Software gromacs
Ions POT(64), POT(64), POT(64), POT(64), POT(64), POT(64), POT(64), POT(64), POT(64), POT(64), POT(64), POT(64), POT(64), POT(64), POT(64), POT(64), POT(64), POT(64), POT(64)
Water SOL
Lipids - L1 POPC:POPS (32:32)
Lipids - L2 POPC:POPS (32:32)
Files View on GitHub main
 Download PDB File
 Link to simulation files
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Upper leaflet
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

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 : 62.1 Å2