cgexplore.terms.Nonbonded¶

class cgexplore.terms.Nonbonded(atom_id, bead_class, bead_element, sigma, epsilon, force)[source]¶

Bases: object

Class containing term defintion.

Parameters:

atom_id (int) – ID of bead.
bead_class (str) – Class of bead - usually the first letter of bead type.
bead_element (str) – Element of atom.
sigma (Quantity) – sigma quantity to be implemented in a forcefield.
epsilons – epsilon quantity to be implemented in a forcefield.
force (str) – Which nonbonded force to use in this term.
epsilon (Quantity)

Methods

Attributes

`atom_id`
`bead_class`
`bead_element`
`sigma`
`epsilon`
`force`

atom_id: int¶

bead_class: str¶

bead_element: str¶

epsilon: Quantity¶

force: str¶

sigma: Quantity¶