Trajectory 411

Order parameters quality = N/A

Computational methods Simulation metadata
System 60POPC_12POPS_3483SOL_12SOD_39CAL_78CLA_298K
Author(s) Melcr, Josef
Date 14/01/2022
DOI 10.5281/zenodo.1487761
Publication N/A
Force field Lipid17 and Dang ions
Simulation length (ps) 950020
Trajectory size 3499682548
Pre-equilibration time 50
Time left out 0
Temperature (K) 298
Number of particles 20142
Software gromacs
Ions SOD(12), CAL(39), CLA(78)
Water SOL
Lipids - L1 POPC:POPS (30:6)
Lipids - L2 POPC:POPS (30:6)
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 : 4.4 nm
Area per lipid : 59.1 Å2