Dynarepo 7LO6
OpenOmid Mokhtari;Hamed Khakzad;Yasaman Karami;
MD-A003IX
- Created
- 22 Jul 2025
replica 2NPT
Trajectory
7,282 atomsFull system
- Length
- 500.1 ns @ 2 fs
- Frames
- 5,001 / 100 ps
- Temperature
- 310 K
Loading structure.
Analysis
Parameters
- Length
- 500.1 ns@ 2 fs = 250,050,000 steps
- Frames
- 5,0011 frame every 100 ps
- Ensemble
- NPTconstant number of particles, pressure and temperature
- Temperature
- 310 K
- Force field
- CHARMM36mwater model TIP3P
- Atoms
- 7,282
- Box
- 13.661 x 13.661 x 9.651 nmDodecahedron · 1,801.18 nm³
- Composition
- Total system7,282 atoms · 469 residues
- Protein7,282 atoms · 469 residues
- Lipids0 atoms · 0 residues
- Carbohydrates0 atoms · 0 residues
- Solvent0 atoms · 0 residues
- Counter-ions
- 0Cations (+)
- 0Anions (-)
- 0Total ions