× Due to a recent server update, this page will be slow for the next 1-2 hours. We apologize for any inconvenience this may cause.

Simulation report

Technical information

General information

Name: Substance-p receptor (apoform) (apoform)

PDB id: 6J21

Activation state: Inactive

Description: Classical unbiased (NVT ensemble) complex flexibility assay.

Submitted by: GPCRmd community

System setup

Solvent type: TIP3P

Membrane type: Homogeneous

Membrane composition: POPC

Ionic composition: Sodium ion (156 mM), Chloride (183 mM)

Number of molecules:

Water: 16432

POPC: 188

Chloride: 54

Sodium ion: 46

Substance-P receptor: 1

Total number of atoms: 79574

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


PDB id: 6J21
Substance-P receptor

Visualization and trajectory sharing powered by NGL viewer and MDSrv

Open with GPCRmd Workbench


No mutations found

Other molecules


Specific State ID: 5152

(188 molecules)

Sodium ion

Specific State ID: 5153

(46 molecules)



Specific State ID: 5154

(54 molecules)



Specific State ID: 5151

(16432 molecules)