MD simulations of trimeric SARS-Cov2 spike protein ectodomain in explicit solvent; dexamethasone; open
OpenDeborah K Shoemark;
MD-A001T8
replica 3NPT
Trajectory
51,886 atomsFull system
- Length
- 200.1 ns
- Frames
- 2,001 / 100 ps
- Temperature
- 310 K
Loading structure.
Analysis
Parameters
- Length
- 200.1 ns
- Frames
- 2,0011 frame every 100 ps
- Ensemble
- NPTconstant number of particles, pressure and temperature