replica 1 | Parallel GluA3 WT NTD dimer (PDB 3O21, dimer CD) run 2 | MDRepoParallel GluA3 WT NTD dimer (PDB 3O21, dimer CD) run 2
OpenJames Krieger;Ingo Greger;
replica 1NPT
Loading structure.
Parameters
- Length
- 35.89 ns@ 2 fs = 17,945,000 steps
- Frames
- 3,5891 frame every 10 ps
- Ensemble
- NPTconstant number of particles, pressure and temperature
Temperature300 KForce fieldCHARMM22water model TIP3P Composition- Total system12,193 atoms · 758 residues
- Protein12,193 atoms · 758 residues
- Nucleic acids0 atoms · 0 residues
- Lipids0 atoms · 0 residues
- Carbohydrates0 atoms · 0 residues
- Solvent0 atoms · 0 residues
Counter-ions- 0Cations (+)
- 0Anions (-)
- 0Total ions