Trajectory 21

Order parameters quality = N/A

Computational methods Simulation metadata
System 512POPC_20480SOL_55SOD_55CLA_310K
Author(s) Martinez-Seara, Hector
Date 01/10/2021
DOI 10.5281/zenodo.1010083
Publication N/A
Force field CHARMM36
Simulation length (ps) 500100
Trajectory size 2441681200
Pre-equilibration time 0
Time left out 0
Temperature (K) 310
Number of particles 130158
Software gromacs
Ions CLA(55), SOD(55), CLA(55), SOD(55), CLA(55), SOD(55), CLA(55), SOD(55), CLA(55), SOD(55), CLA(55), SOD(55), CLA(55), SOD(55), CLA(55), SOD(55), CLA(55), SOD(55), CLA(55), SOD(55), CLA(55), SOD(55), CLA(55), SOD(55), CLA(55), SOD(55), CLA(55), SOD(55), CLA(55), SOD(55), CLA(55), SOD(55), CLA(55), SOD(55)
Water SOL
Lipids - L1 POPC (256)
Lipids - L2 POPC (256)
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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 : 4.3 nm
Area per lipid : 64.2 Å2