Simulation report
Technical information
General information
Name: 6lw5 apoform (apoform)
PDB id: 6LW5
Activation state: Active
Description: Classical unbiased (NVT ensemble) complex flexibility assay.
Submitted by: Oriol Canal, Universitat Pompeu Fabra
System setup
Solvent type: TIP3P
Membrane type: Homogeneous
Membrane composition: POPC
Ionic composition: Chloride (186 mM), Sodium ion (157 mM)
Number of molecules:
Water: 13441
POPC: 178
Chloride: 45
Sodium ion: 38
N-formyl peptide receptor 2: 1
Total number of atoms: 69420
Simulation details
Software and version: ACEMD3, GPUGRID
Forcefield and version: CHARMM, c36 Jul 2020
Time step : 4.0 fs
Delta : 0.2 ns
Replicates: 3
Accumulated simulation time: 1.5 µs
Additonal parameters: Available at "Simulation protocol & starting files"
Simulation components
Receptor
PDB id: 6LW5
N-formyl peptide receptor 2
Mutations
No mutations found
