Something went wrong on our end
-
Xavier Robin authoredXavier Robin authored
topology.rst 45.55 KiB
Topology
The :class:`Topology` object is an abstract representation of a protein structure or any combination of particles that interact with each other in some way. Being initialized with a list of masses representing the particles, the topology allows to define arbitrary forces between these particles. The :class:`Topology` gets internally translated to a molecular mechanics system as soon as a :class:`Simulation` is set up. To make setting up a :class:`Topology` more convenient, the :class:`TopologyCreator` class allows to create a :class:`Topology` based on an mm :class:`Settings` object, that should suffice for most needs.
Automatically create topologies
The Topology Class
| param masses: | :class:`list` of the particles'masses |
|---|