run 1 | Intrinsic dynamics of TARP gamma-2 | MDRepoIntrinsic dynamics of TARP gamma-2
OpenJames Krieger;Nayanika Sengupta;Alexander M. Scrutton;Ingo H. Greger;
run 1NPT
Loading structure.
Parameters
- Length
- 100.1 ns@ 2 fs = 50,050,000 steps
- Frames
- 1,0011 frame every 100 ps
- Ensemble
NPTconstant number of particles, pressure and temperatureForce fieldCHARMM36, CHARMM36mwater model TIP3P Box7.333 x 7.333 x 15.409 nmTriclinic · 828.64 nm³ Composition- Total system22,956 atoms · 372 residues
- Protein3,526 atoms · 227 residues
- Nucleic acids0 atoms · 0 residues
- Lipids19,430 atoms · 145 residues
- Carbohydrates0 atoms · 0 residues
- Solvent0 atoms · 0 residues
Counter-ions- 0Cations (+)
- 0Anions (-)
- 0Total ions