replica 1 | GluA3 E180A NTD dimer classical all-atom MD run 1 | MDRepoGluA3 E180A NTD dimer classical all-atom MD run 1
OpenJames Krieger;Aditya Pokharna;Ingo Greger;
replica 1NPT
Loading structure.
Parameters
- Length
- 200.01 ns@ 2 fs = 100,005,000 steps
- Frames
- 20,0011 frame every 10 ps
- Ensemble
- NPTconstant number of particles, pressure and temperature
Temperature300 KForce fieldCHARMM36mwater model TIP3P Box11.112 x 11.112 x 7.857 nmDodecahedron · 970.07 nm³ Composition- Total system12,142 atoms · 756 residues
- Protein12,142 atoms · 756 residues
- Nucleic acids0 atoms · 0 residues
- Lipids0 atoms · 0 residues
- Carbohydrates0 atoms · 0 residues
- Solvent0 atoms · 0 residues
Counter-ions- 0Cations (+)
- 0Anions (-)
- 0Total ions