Trajectory 4

Order parameters quality = N/A

Computational methods Simulation metadata
System DPPC_512_NaCl_150mM_338K
Author(s) Martinez-Seara, Hector
Date 04/10/2021
DOI 10.5281/zenodo.1009027
Publication N/A
Force field CHARMM36
Simulation length (ps) 500100
Trajectory size 2396743500
Pre-equilibration time 0
Time left out 0
Temperature (K) 338
Number of particles 128110
Software gromacs
Ions 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), CLA(55)
Water SOL
Lipids - L1 DPPC (256)
Lipids - L2 DPPC (256)
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Lipids


DPPC
  • 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 DPPC

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 : 4.2 nm
Area per lipid : 62.8 Å2