Trajectory 841

Order parameters quality = N/A

Computational methods Simulation metadata
System POPC_113mM_NaCl_prosECCo75
Author(s) Nencini, Ricky
Date 23/09/2025
DOI 10.5281/zenodo.10464960
Publication https://doi.org/10.1021/acs.jctc.4c00743
Force field prosECCo75
Simulation length (ps) 1000100
Trajectory size 1991796252
Pre-equilibration time 0
Time left out 0
Temperature (K) 310
Number of particles 53836
Software gromacs
Ions SOD(18), CLA(18), SOD(18), CLA(18), SOD(18), CLA(18), SOD(18), CLA(18), SOD(18), CLA(18), SOD(18), CLA(18), SOD(18), CLA(18), SOD(18), CLA(18), SOD(18), CLA(18), SOD(18), CLA(18), SOD(18), CLA(18), SOD(18), CLA(18), SOD(18), CLA(18), SOD(18), CLA(18), SOD(18), CLA(18), SOD(18), CLA(18), SOD(18), CLA(18)
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

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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 : 62.2 Å2