Spike mutation A222V; DDD, align simple
OpenMiłosz Wieczór;Tiziana Ginex;
MD-A001TE
replica 2NPT
Trajectory
51,000 atomsFull system
- Length
- 300 ns @ 2 fs
- Frames
- 60 / 5,000 ps
- Temperature
- 300 K
Loading structure.
Analysis
Parameters
- Length
- 300 ns@ 2 fs = 150,000,000 steps
- Frames
- 601 frame every 5,000 ps
- Ensemble
- NPTconstant number of particles, pressure and temperature