Mg2+-bound human oxytocin receptor bound to oxytocin
OpenFrancesco Musiani;Samira Al Sadi;Alejandro Giorgetti;Mercedes Alfonso-Prieto;Paolo Carloni;
MD-A00400
- Created
- 6 Feb 2026
OTRe replica 3NPT
Trajectory
35,002 atomsFull system
- Length
- 10,001 ns @ 2 fs
- Frames
- 10,001 / 1,000 ps
- Temperature
- 304 K
Loading structure.
Analysis
Parameters
- Length
- 10,001 ns@ 2 fs = 5,000,500,000 steps
- Frames
- 10,0011 frame every 1,000 ps
- Ensemble
- NPTconstant number of particles, pressure and temperature
- Temperature
- 304 K
- Force field
- Amber ff14SBwater model TIP3P
- Atoms
- 35,002
- Box
- 9.208 x 9.378 x 12.509 nmTriclinic · 1,080.16 nm³
- Composition
- Total system35,002 atoms · 584 residues
- Protein5,242 atoms · 325 residues
- Nucleic acids0 atoms · 0 residues
- Lipids29,744 atoms · 256 residues
- Carbohydrates0 atoms · 0 residues
- Solvent0 atoms · 0 residues
- Counter-ions
- 0Cations (+)
- 0Anions (-)
- 0Total ions