replica 2 | BANAL-236-CoV RBD and Human ACE2 complex | MDRepoBANAL-236-CoV RBD and Human ACE2 complex
OpenSarah Temmam;Khamsing Vongphayloth;Eduard Baquero;Sandie Munier;Massimiliano Bonomi;
replica 2NVT
Loading structure.
Parameters
- Frames
- 10,001
- Ensemble
- NVTconstant number of particles, volume and temperature
- Temperature
- 300 K
Force fieldCHARMM36mwater model TIP3P Box0.000 x 0.000 x 0.000 nmTriclinic · 0.00 nm³ Composition- Total system12,503 atoms · 791 residues
- Protein12,503 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