Table 3.
Constraints | Nvidia | ATI |
---|---|---|
None | 0.0054 | 0.0178 |
H-bonds (SHAKE tolerance 10−4) | 0.0611 | 0.1031 |
H-bonds (SHAKE tolerance 10−5) | 0.0220 | 0.0541 |
H-bonds (SHAKE tolerance 10−6) | 0.0060 | 0.0558 |
All simulations were 1 ns in length and used a time step of 1 fs.
ATI: Radeon HD 4870 GPU.
Nvidia: GeForce GTX 280 GPU.