Dynarepo 4K9E
OpenOmid Mokhtari;Hamed Khakzad;Yasaman Karami;
MD-A003LI
- Created
- 23 Jul 2025
replica 2NPT
Trajectory
3,087 atomsFull system
- Length
- 480.2 ns @ 2 fs
- Frames
- 4,802 / 100 ps
- Temperature
- 310 K
Loading structure.
Analysis
Parameters
- Length
- 480.2 ns@ 2 fs = 240,100,000 steps
- Frames
- 4,8021 frame every 100 ps
- Ensemble
- NPTconstant number of particles, pressure and temperature
- Temperature
- 310 K
- Force field
- CHARMM36mwater model TIP3P
- Atoms
- 3,087
- Box
- 10.867 x 10.867 x 7.671 nmDodecahedron · 905.87 nm³
- Composition
- Total system3,087 atoms · 199 residues
- Protein3,087 atoms · 199 residues
- Lipids0 atoms · 0 residues
- Carbohydrates0 atoms · 0 residues
- Solvent0 atoms · 0 residues
- Counter-ions
- 0Cations (+)
- 0Anions (-)
- 0Total ions