replica 1 | Spike mutation A222V; cryo-em double | MDRepoSpike mutation A222V; cryo-em double
OpenMiłosz Wieczór;Tiziana Ginex;
replica 1NPT
Loading structure.
Parameters
- Length
- 200.5 ns@ 2 fs = 100,250,000 steps
- Frames
- 4011 frame every 500 ps
- Ensemble
- NPTconstant number of particles, pressure and temperature
- Temperature
300 K
Force fieldCHARMM36water model TIP3P Box20.075 x 20.075 x 20.075 nm8,089.85 nm³ Composition- Total system52,368 atoms · 3,396 residues
- Protein52,368 atoms · 3,396 residues
- Nucleic acids0 atoms · 0 residues
- Lipids0 atoms · 0 residues
- Carbohydrates0 atoms · 0 residues
- Solvent0 atoms · 0 residues
Counter-ions- 0Cations (+)
- 0Anions (-)
- 0Total ions