Trajectory 321

Order parameters quality = N/A

Computational methods Simulation metadata
System POPC_CHARMM36_CaCl2_035Mol_303K
Author(s) Girych Mykhailo and Ollila O. H. Samuli
Date 01/10/2021
DOI 10.5281/zenodo.35159
Publication N/A
Force field CHARMM36
Simulation length (ps) 100010
Trajectory size 1351974812
Pre-equilibration time 100
Time left out 0
Temperature (K) 303
Number of particles 36457
Software gromacs
Ions CAL(35), CLA(70), CAL(35), CLA(70), CAL(35), CLA(70), CAL(35), CLA(70), CAL(35), CLA(70), CAL(35), CLA(70), CAL(35), CLA(70), CAL(35), CLA(70), CAL(35), CLA(70), CAL(35), CLA(70), CAL(35), CLA(70), CAL(35), CLA(70), CAL(35), CLA(70), CAL(35), CLA(70), CAL(35), CLA(70), CAL(35), CLA(70), CAL(35), CLA(70)
Water TIP3
Lipids - L1 POPC (64)
Lipids - L2 POPC (64)
Files View on GitHub main
 Download PDB File
 Link to simulation files
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Lower leaflet

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 : 4.5 nm
Area per lipid : 60.5 Å2