Trajectory 351

Order parameters quality = N/A

Computational methods Simulation metadata
System 200POPC_9000SOL_157SOD_157CLA_310K
Author(s) Nencini, Ricky
Date 04/10/2021
DOI 10.5281/zenodo.2562083
Publication N/A
Force field ECC-CHARMM36
Simulation length (ps) 352300
Trajectory size 706397080
Pre-equilibration time 0
Time left out 0
Temperature (K) 310.15
Number of particles 54114
Software gromacs
Ions CLA(157), SOD(157), CLA(157), SOD(157), CLA(157), SOD(157), CLA(157), SOD(157), CLA(157), SOD(157), CLA(157), SOD(157), CLA(157), SOD(157), CLA(157), SOD(157), CLA(157), SOD(157), CLA(157), SOD(157), CLA(157), SOD(157), CLA(157), SOD(157), CLA(157), SOD(157), CLA(157), SOD(157), CLA(157), SOD(157), CLA(157), SOD(157), CLA(157), SOD(157)
Water SOL
Lipids - L1 POPC (100)
Lipids - L2 POPC (100)
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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 : 4.5 nm
Area per lipid : 59.4 Å2