Griffin
Implicit (potential) protein force field
- precalculated
- forces caused by protein are stored on grid
- atomic detail
- very fast
- simplification: static protein
Potential forces
\[ \vec{F} = q_{dummy} \cdot \sum_{i=1}^{atoms} \frac{1}{4\pi \epsilon_0} \frac{q_i}{r_{i,dummy}^2} \frac{\vec{r}}{r} \]
Force grid
\[ \vec{P} = \sum_{i=1}^{atoms} \frac{1}{4\pi \epsilon_0} \frac{q_i}{r_{i,gridpoint}^2} \frac{\vec{r}}{r} \]
Forces
\[ \vec{P} = \sum_{i=1}^{atoms} \frac{1}{4\pi \epsilon_0} \frac{q_i}{r_{i,gridpoint}^2} \frac{\vec{r}}{r} \]