Published June 2025
| Version v1
Dataset
Open
M2 muscarinic receptor in the empty form 40 ns
Description
Classical MD simulations. The M2 muscarinic receptor empty form in the water-POPC bilayer. 0.15 M of Na+ and Cl-. Three replicates are provided.
Trajectory originally donated to SlimMD
Files
snapshot.png
Files
(716.4 MB)
| Name | Size | Download all |
|---|---|---|
|
md5:fccfce1621cd760b344738666c6b6772
|
231.0 MB | Download |
|
md5:e6cab92c7237f9e8e525cddacb061c1d
|
231.0 MB | Download |
|
md5:690166e049b1518b5b7cdb4a9a5027e2
|
232.1 MB | Download |
|
md5:2ca7770d55d36817b361b7d7025f5a0e
|
1.5 MB | Preview Download |
|
md5:ef0c1d22d221ab1963f087dec067dce4
|
7.6 MB | Download |
|
md5:b6d9ddf9ba0a984eaefad66ba5894b0a
|
13.3 MB | Download |
Additional details
Identifiers
Domain Specific Metadata
| Property | Value |
|---|---|
| Software | NAMD |
| Software Version | Git-2017-12-19 |
| Molecular Model | atomistic |
| Simulation Method | classical |
| Timestep | 2 femtosecond |
| Framestep | 0.2 nanoseconds |
| Length | 0.04 microseconds |
| Temperature | 310 K |
| Pressure | 1.01325 bar |
| Ensemble | NPT |
| Box Type | cubic |
| Trajectories | Cartesian coordinates |
| Force Fields | CHARMM36, CgenFF v1.0.0 |
| Experimental Structures | https://www.rcsb.org/structure/4MQS |
| Membrane | Yes |
| Sequences | KTFEVVFIVLVAGSLSLVTIIGNILVMVSIKVNRHLQTVNNYFLFSLACADLIIGVFSMNLYTLYTVIGYWPLGPVVCDLWLALDYVVSNASVMNLLIISFDRYFCVTKPLTYPVKRTTKMAGMMIAAAWVLSFILWAPAILFWQFIVGVRTVEDGECYIQFFSNAAVTFGTAIAAFYLPVIIMTVLYWHISRASKSRIKPPPSREKKVTRTILAILLAFIITWAPYNVMVLINTFCAPCIPNTVWTIGYWLCYINSTINPACYALCNATFKKTFKHLLMC |
| Box Dimensions | 74.2 x 79.9 x 155.1 Angstrom, alpha: 90.0, beta: 90.0, gamma: 90.0 degrees |
| Long Range Cutoff | 12 Angstrom |
| Thermostat | langevin |
| Barostat | langevin |
| Atom Count | 96231 |