Trajectory 213

Order parameters quality = N/A

Computational methods Simulation metadata
System 128POPC_4452SOL_8CAL_16CLA_310K_Berger
Author(s) Cwiklik Lukasz
Date 25/03/2022
DOI 10.5281/zenodo.887351
Publication 10.1038/srep38035
Force field Berger
Simulation length (ps) 100020
Trajectory size 367472324
Pre-equilibration time 100
Time left out 0
Temperature (K) 310
Number of particles 20036
Software gromacs
Ions CAL(8), CLA(16), CAL(8), CLA(16), CAL(8), CLA(16), CAL(8), CLA(16), CAL(8), CLA(16), CAL(8), CLA(16), CAL(8), CLA(16), CAL(8), CLA(16), CAL(8), CLA(16), CAL(8), CLA(16), CAL(8), CLA(16), CAL(8), CLA(16), CAL(8), CLA(16), CAL(8), CLA(16), CAL(8), CLA(16), CAL(8), CLA(16), CAL(8), CLA(16)
Water SOL
Lipids - L1 POPC (64)
Lipids - L2 POPC (64)
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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 : 4.4 nm
Area per lipid : 61.7 Å2