Gromacs 60 ns MD of SARS-CoV-2 spike trimer, All Atom model (60 ns)
OpenDmitry Morozov;
MD-A001NL
replica 1NPT
Trajectory
52,329 atomsFull system
- Length
- 57.84 ns @ 2 fs
- Frames
- 723 / 80 ps
- Temperature
- 300 K
Loading structure.
Analysis
Parameters
- Length
- 57.84 ns@ 2 fs = 28,920,000 steps
- Frames
- 7231 frame every 80 ps
- Ensemble
- NPTconstant number of particles, pressure and temperature
- Temperature