Trajectory 78

Order parameters quality = N/A

Computational methods Simulation metadata
System 128POPC_6400SOL_67CAL_134CLA_303K
Author(s) Girych Mykhailo and Ollila O. H. Samuli
Date 01/10/2021
DOI 10.5281/zenodo.35160
Publication N/A
Force field CHARMM36
Simulation length (ps) 100010
Trajectory size 1356728632
Pre-equilibration time 100
Time left out 0
Temperature (K) 303
Number of particles 36553
Software gromacs
Ions CAL(67), CLA(134), CAL(67), CLA(134), CAL(67), CLA(134), CAL(67), CLA(134), CAL(67), CLA(134), CAL(67), CLA(134), CAL(67), CLA(134), CAL(67), CLA(134), CAL(67), CLA(134), CAL(67), CLA(134), CAL(67), CLA(134), CAL(67), CLA(134), CAL(67), CLA(134), CAL(67), CLA(134), CAL(67), CLA(134), CAL(67), CLA(134), CAL(67), CLA(134)
Water TIP3
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 : 4.6 nm
Area per lipid : 59.9 Å2