replica 1 | Dynarepo 4LVN | MDRepoOmid Mokhtari;Hamed Khakzad;Yasaman Karami;
replica 1NPT
Loading structure.
Parameters
- Length
- 500.1 ns@ 2 fs = 250,050,000 steps
- Frames
- 5,0011 frame every 100 ps
EnsembleNPTconstant number of particles, pressure and temperatureForce fieldCHARMM36mwater model TIP3P Box14.784 x 14.784 x 10.453 nmDodecahedron · 2,284.61 nm³ Composition- Total system12,954 atoms · 849 residues
- Protein12,954 atoms · 849 residues
- Lipids0 atoms · 0 residues
- Carbohydrates0 atoms · 0 residues
- Solvent0 atoms · 0 residues
Counter-ions- 0Cations (+)
- 0Anions (-)
- 0Total ions