OTRe replica 2 | Mg2+-bound human oxytocin receptor bound to oxytocin | MDRepoMg2+-bound human oxytocin receptor bound to oxytocin
OpenFrancesco Musiani;Samira Al Sadi;Alejandro Giorgetti;Mercedes Alfonso-Prieto;Paolo Carloni;
OTRe replica 2NPT
Loading structure.
Parameters
- Length
- 10,001 ns@ 2 fs = 5,000,500,000 steps
- Frames
- 10,0011 frame every 1,000 ps
EnsembleNPTconstant number of particles, pressure and temperatureForce fieldAmber ff14SBwater model TIP3P Box9.208 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