Restraint Potential Functions

Functional forms for restraint potentials

Below are listed the interaction forms available for restraining potentials acting on individual atoms. All functional forms have an implied origin / reference coordinate defined by some other means (e.g. specified when adding additional potentials to configurations) with $r = r_{i} - r_{origin}$.

Keyword Parameters Description
Harmonic k Simple harmonic well potential$$ E_{ij} = \frac{1}{2} k r^2 $$ $$ F_{ij} = -k r $$
Last modified April 23, 2024: Update release notes. (70ff745)