Dynarepo 3KR3
OpenOmid Mokhtari;Hamed Khakzad;Yasaman Karami;
MD-A003L0
- Created
- 23 Jul 2025
replica 3NPT
Trajectory
903 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