Dynarepo 7KFW
OpenOmid Mokhtari;Hamed Khakzad;Yasaman Karami;
MD-A003IT
- Created
- 22 Jul 2025
replica 3NPT
Trajectory
3,015 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
- 3,015
- Box
- 8.859 x 8.859 x 6.216 nmDodecahedron · 487.85 nm³
- Composition
- Total system3,015 atoms · 195 residues
- Protein3,015 atoms · 195 residues
- Lipids0 atoms · 0 residues
- Carbohydrates0 atoms · 0 residues
- Solvent0 atoms · 0 residues
- Counter-ions
- 0Cations (+)
- 0Anions (-)
- 0Total ions