Trajectory 760

Order parameters quality = N/A

Computational methods Simulation metadata
System POPC_790_CaCl2_CHARMMdrude2023_303K
Author(s) Kav, Batuhan
Date 06/06/2023
DOI 10.5281/zenodo.7992137
Publication N/A
Force field Charmm-Drude polarizable2023
Simulation length (ps) 214850.00064056
Trajectory size 14794915036
Pre-equilibration time 200
Time left out 0
Temperature (K) 303
Number of particles 57378
Software openMM
Ions CAL(91), CLA(182), CAL(91), CLA(182), CAL(91), CLA(182), CAL(91), CLA(182), CAL(91), CLA(182), CAL(91), CLA(182), CAL(91), CLA(182), CAL(91), CLA(182), CAL(91), CLA(182), CAL(91), CLA(182), CAL(91), CLA(182), CAL(91), CLA(182), CAL(91), CLA(182), CAL(91), CLA(182), CAL(91), CLA(182), CAL(91), CLA(182), CAL(91), CLA(182)
Water SWM4
Lipids - L1 POPC (64)
Lipids - L2 POPC (64)
Files View on GitHub main
 Download PDB File
 Link to simulation files
Hover over a component to view composition data.
Upper leaflet
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 : 0 nm
Area per lipid : 70.8 Å2