Simulation report
Technical information
General information
Name: Angiotensin ii type 1 receptor incomplex with trv023 (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 (294 mM), Potassium ion (233 mM)
Number of molecules:
Water: 10000
POPC: 154
Chloride: 53
Potassium ion: 42
2-(methylamino)ethanol: 1
Type-1 angiotensin II receptor: 1
Total number of atoms: 73244
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
