Trajectory 925

Order parameters quality = N/A

Computational methods Simulation metadata
System popc_pops_250_50_contra_sodium_150mM_CaCl_nbfix_han
Author(s) Ricky Nencini
Date 09/09/2026
DOI 10.5281/zenodo.3371327
Publication https://doi.org/10.1021/acs.jctc.4c00743
Force field CHARMM36 with NBFIX-Han
Simulation length (ps) 434500
Trajectory size 1192376312
Pre-equilibration time 0
Time left out 0
Temperature (K) 320
Number of particles 73554
Software gromacs
Ions SOD(50), CAL(28), CLA(56)
Water TIP3
Lipids - L1 POPC:POPS (125:25)
Lipids - L2 POPC:POPS (125:25)
Files View on GitHub main
 Link to simulation files
Hover over a component to view composition data.
Upper leaflet
Lower leaflet

Lipids


POPS
  • Quality total: N/A
  • Quality headgroups: N/A
  • Quality tails: N/A
Download Mapping File main
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 POPS

Download JSON main

Group sn-1

Group sn-2

Group headgroup

Group glycerol backbone

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 : 64.1 Å2