Boundary Point Transition Path on Alanine Dipeptide
7.92EPDMD w/ fixed timescale
Evaluation Results
| Method | Links | |||
|---|---|---|---|---|
| MD w/ fixed timescaleTime-horizon (tau)=500 fs, Simulation temperature=300 K2022.06 | 7.92 | 0 | — | |
| MD w/ fixed timescaleTime-horizon (tau)=500 fs, Simulation temperature=1500 K2022.06 | 7.47 | 0 | — | |
| MD w/ fixed timescaleTime-horizon (tau)=500 fs, Simulation temperature=9000 K2022.06 | 6.82 | 1.7 | 1,019.83 | |
| MD w/ fixed timescaleTime-horizon (tau)=500 fs, Simulation temperature=4500 K2022.06 | 6.33 | 0 | — | |
| Bias Force PredictionTime-horizon (tau)=500 fs, Simulation temperature=300 K2022.06 | 2.07 | 41.1 | 0.68 | |
| MD w/ fixed timescaleTime-horizon (tau)=48683 fs, Simulation temperature=4500 K2022.06 | 2.01 | 100 | 1,647.35 | |
| MD w/ fixed timescaleTime-horizon (tau)=34810 fs, Simulation temperature=1500 K2022.06 | 1.88 | 100 | 551.51 | |
| Bias Potential PredictionTime-horizon (tau)=500 fs, Simulation temperature=300 K2022.06 | 1.25 | 89.2 | -5.21 |