Trajectory 56

Order parameters quality = N/A

Computational methods Simulation metadata
System 200DOPC_10000SOL_23SOD_23CLA
Author(s) Matti Javanainen
Date 01/10/2021
DOI 10.5281/zenodo.3592499
Publication N/A
Force field CHARMM36
Simulation length (ps) 500100
Trajectory size 1062313368
Pre-equilibration time 0
Time left out 0
Temperature (K) 310
Number of particles 57646
Software gromacs
Ions CLA(23), SOD(23), CLA(23), SOD(23), CLA(23), SOD(23), CLA(23), SOD(23), CLA(23), SOD(23), CLA(23), SOD(23), CLA(23), SOD(23), CLA(23), SOD(23), CLA(23), SOD(23), CLA(23), SOD(23), CLA(23), SOD(23), CLA(23), SOD(23), CLA(23), SOD(23), CLA(23), SOD(23), CLA(23), SOD(23), CLA(23), SOD(23), CLA(23), SOD(23)
Water TIP3
Lipids - L1 DOPC (100)
Lipids - L2 DOPC (100)
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Lipids


DOPC
  • 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 DOPC

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 : 4.1 nm
Area per lipid : 68.4 Å2