Trajectory 92

Order parameters quality = N/A

Computational methods Simulation metadata
System 500POPC_48SOD_48CLA_25000SOL_310K
Author(s) Peón, Antonio
Date 03/01/2022
DOI 10.5281/zenodo.2574959
Publication N/A
Force field Lipid17
Simulation length (ps) 100010
Trajectory size 5316705632
Pre-equilibration time 400
Time left out 0
Temperature (K) 310
Number of particles 142096
Software gromacs
Ions SOD(48), CLA(48), SOD(48), CLA(48), SOD(48), CLA(48), SOD(48), CLA(48), SOD(48), CLA(48), SOD(48), CLA(48), SOD(48), CLA(48), SOD(48), CLA(48), SOD(48), CLA(48), SOD(48), CLA(48), SOD(48), CLA(48), SOD(48), CLA(48), SOD(48), CLA(48), SOD(48), CLA(48), SOD(48), CLA(48), SOD(48), CLA(48), SOD(48), CLA(48)
Water WAT
Lipids - L1 POPC (250)
Lipids - L2 POPC (250)
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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 : 3.9 nm
Area per lipid : 67.1 Å2