Terms¶
A package of the forcefield terms used in CGExplore.
As with the discussion of the cgexplore.forcefields.ForceFieldLibrary,
all terms have the actual term (e.g., cgexplore.terms.Bond) and a
Target and TargerRange class, which assist the user in defining variable
forcefields for a single term.
Important
Warning: The distinction between a bead class and a bead type is currently unclear. In most cases, you can use them interchangebly. The idea was to have a broader class, with type being a subset, but that does not seem useful.
Custom forces¶
When assigning target terms using the classes below, you can select the force. Most are standard OpenMM forces, which can be found in their documentation. Others are defined here:
Bonds¶
Angles¶
Torsions¶
Nonbonded¶
Unlike other terms, nonbonded terms are usually set at the bead class level, not bead type. Although the distinction between the two remains muddy.
Assigned classes¶
These classes are not often used by the user, but the forcefield assigns them based on targets used above.