parmed.topologyobjects.NonbondedExceptionType¶
-
class
parmed.topologyobjects.NonbondedExceptionType(rmin, epsilon, chgscale=1.0, list=None)[source]¶ A parameter describing how the various nonbonded interactions between a particular pair of atoms behaves in a specified nonbonded exception (e.g., in 1-4 interacting terms)
- Parameters
- rminfloat
The combined Rmin value for this particular pair of atom types (dimension length, default units are Angstroms)
- epsilonfloat
The combined well-depth value for this particular pair of atom types (dimension energy, default units are kcal/mol)
- chgscalefloat, optional
The scaling factor by which to multiply the product of the charges for this pair. Default is 1.0.
- list
TrackedList The list containing this nonbonded exception
- Attributes
- idx
- sigma
- uepsilon
- urmin
- usigma
-
__init__(rmin, epsilon, chgscale=1.0, list=None)[source]¶ Initialize self. See help(type(self)) for accurate signature.
Methods
__init__(rmin, epsilon[, chgscale, list])Initialize self.
Attributes
idx