replica 1 | Gromacs 100 ns MD of SARS-CoV-2 RdRp + RNA template-primer + ATP model, All Atom model (100 ns) | MDRepoGromacs 100 ns MD of SARS-CoV-2 RdRp + RNA template-primer + ATP model, All Atom model (100 ns)
Openreplica 1NPT
Loading structure.
Parameters
- Length
- 100.1 ns
- Frames
- 1,0011 frame every 100 ps
- Ensemble
- NPTconstant number of particles, pressure and temperature
- Temperature
300 K
Force fieldAmber ff14SB-OL15 Box16.245 x 16.245 x 16.245 nmTriclinic · 4,286.66 nm³ Composition- Total system20,980 atoms · 1,297 residues
- Protein19,906 atoms · 1,260 residues
- Nucleic acids1,027 atoms · 32 residues
- Lipids0 atoms · 0 residues
- Carbohydrates43 atoms · 1 residues
- Solvent0 atoms · 0 residues
Counter-ions- 0Cations (+)
- 0Anions (-)
- 0Total ions