pysimm.forcefield.forcefield
¶
Module Contents¶
Classes¶
pysimm.forcefield.Forcefield |
Attributes¶
- class pysimm.forcefield.forcefield.Forcefield(file_=None, format=None)[source]¶
Bases:
object
pysimm.forcefield.Forcefield
Base Forcefield class definition. Initialize with force field xml file.
- ff_class¶
force field class (1 or 2)
- ff_name¶
force field name
- particle_types¶
ItemContainer
for particle_types
- bond_types¶
ItemContainer
for bond_types
- angle_types¶
ItemContainer
for angle_types
- dihedral_types¶
ItemContainer
for dihedral_types
- improper_types¶
ItemContainer
for improper_types