Spike mutation A222V; UDD, align double
OpenMiłosz Wieczór;Tiziana Ginex;
MD-A001TH
replica 1NPT
Trajectory
51,018 atomsFull system
- Length
- 500 ns @ 2 fs
- Frames
- 100 / 5,000 ps
- Temperature
- 300 K
Loading structure.
Analysis
Parameters
- Length
- 500 ns@ 2 fs = 250,000,000 steps
- Frames
- 1001 frame every 5,000 ps
- Ensemble
- NPTconstant number of particles, pressure and temperature