MoDEL 1AGX
OpenTim Meyer;Marco D'Abramo;Adam Hospital;Manuel Rueda;Carles Ferrer-Costa;Alberto Pérez;Oliver Carrillo;Jordi Camps;Carles Fenollosa;Dmitry Repchevsky;
MD-A0001E
replica 1NPT
Trajectory
5,013 atomsFull system
- Length
- 10 ns @ 2 fs
- Frames
- 10,000 / 1 ps
- Temperature
- 300 K
Loading structure.
Analysis
Parameters
- Length
- 10 ns@ 2 fs = 5,000,000 steps
- Frames
- 10,0001 frame every 1 ps
- Ensemble
- NPTconstant number of particles, pressure and temperature
- Temperature