Simulation report
Technical information
General information
Name: Angiotensin ii type 1 receptor in complex with modified ang ii (apoform)
PDB id: 6DO1
Activation state: Active
Submitted by: GPCRmd community
System setup
Solvent type: TIP3P
Membrane type: Homogeneous
Membrane composition: POPC
Ionic composition: Chloride (322 mM), Potassium ion (261 mM)
Number of molecules:
Water: 10000
POPC: 178
Chloride: 58
Potassium ion: 47
2-(methylamino)ethanol: 1
Type-1 angiotensin II receptor: 1
Total number of atoms: 82574
Simulation details
Software and version: GROMACS, 2016.4
Forcefield and version: CHARMM, CHARMM36
Time step : 2.0 fs
Delta : 0.6 ns
Replicates: 1
Accumulated simulation time: 2.0082 µs
Additonal parameters: Available at "Simulation protocol & starting files"
Simulation components
Receptor
PDB id: 6DO1
Type-1 angiotensin II receptor
Mutations
No mutations found
