Trajectory 825

Order parameters quality = N/A

Computational methods Simulation metadata
System TLCL_66_Na_Cl_T303_45w/P
Author(s) Nesterenko Alexey
Date 17/10/2024
DOI 10.5281/zenodo.13933145
Publication N/A
Force field Charmm36
Simulation length (ps) 500100
Trajectory size 4073374512
Pre-equilibration time 100
Time left out 0
Temperature (K) 303.15
Number of particles 33933
Software gromacs
Ions SOD(147), CLA(15), SOD(147), CLA(15), SOD(147), CLA(15), SOD(147), CLA(15), SOD(147), CLA(15), SOD(147), CLA(15), SOD(147), CLA(15), SOD(147), CLA(15), SOD(147), CLA(15), SOD(147), CLA(15), SOD(147), CLA(15), SOD(147), CLA(15), SOD(147), CLA(15), SOD(147), CLA(15), SOD(147), CLA(15), SOD(147), CLA(15), SOD(147), CLA(15)
Water TIP3
Lipids - L1 TLCL_0H (33)
Lipids - L2 TLCL_0H (33)
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Lipids


TLCL_0H
  • 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 TLCL_0H

Download JSON main

Group sn-1 1

Group sn-1 2

Group sn-2 1

Group sn-2 2

Group headgroup

Group glycerol backbone 1

Group glycerol backbone 2

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 : 3.8 nm
Area per lipid : 133.5 Å2