replica 3 | Dynarepo 7KF1 | MDRepoOmid Mokhtari;Hamed Khakzad;Yasaman Karami;
replica 3NPT
Loading structure.
Parameters
Warnings
- RMSD check has failed: there may be sudden jumps along the trajectory
- 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 Box8.470 x 8.470 x 6.006 nmDodecahedron · 430.90 nm³ Composition- Total system1,508 atoms · 95 residues
- Protein1,508 atoms · 95 residues
- Lipids0 atoms · 0 residues
- Carbohydrates0 atoms · 0 residues
- Solvent0 atoms · 0 residues
Counter-ions- 0Cations (+)
- 0Anions (-)
- 0Total ions