replica 2 | SARS-CoV-2 RBD and Human ACE2 complex | MDRepoSARS-CoV-2 RBD and Human ACE2 complex
OpenSarah Temmam;Khamsing Vongphayloth;Eduard Baquero;Sandie Munier;Massimiliano Bonomi;
replica 2NVT
Loading structure.
Parameters
Warnings
- Coordinates from both structural zinc and chlorine ions have been removed but they were present during the simulation
- Length
- 1,000.1 ns@ 2 fs = 500,050,000 steps
- Frames
- 10,001
1 frame every 100 ps
EnsembleNVTconstant number of particles, volume and temperature Force fieldCHARMM36mwater model TIP3P Box13.522 x 9.169 x 8.266 nmTriclinic · 1,024.97 nm³ Composition- Total system12,510 atoms · 791 residues
- Protein12,510 atoms · 791 residues
- Nucleic acids0 atoms · 0 residues
- Lipids0 atoms · 0 residues
- Carbohydrates0 atoms · 0 residues
- Solvent0 atoms · 0 residues
Counter-ions- 0Cations (+)
- 0Anions (-)
- 0Total ions