replica 1 | GluA3 R163I NTD dimer and LBD monomer classical all-atom MD run 2 | MDRepoGluA3 R163I NTD dimer and LBD monomer classical all-atom MD run 2
OpenJames Krieger;Aditya Pokharna;Ingo Greger;
replica 1NPT
Loading structure.
Parameters
- Length
- 300.01 ns@ 2 fs = 150,005,000 steps
- Frames
- 30,0011 frame every 10 ps
- Ensemble
- NPTconstant number of particles, pressure and temperature
Temperature300 KForce fieldCHARMM36mwater model TIP3P Box15.682 x 15.682 x 11.089 nmDodecahedron · 2,726.86 nm³ Composition- Total system16,426 atoms · 1,028 residues
- Protein16,426 atoms · 1,028 residues
- Nucleic acids0 atoms · 0 residues
- Lipids0 atoms · 0 residues
- Carbohydrates0 atoms · 0 residues
- Solvent0 atoms · 0 residues
Counter-ions- 0Cations (+)
- 0Anions (-)
- 0Total ions