vermouth.system module¶

Provides a class to describe a system.

class vermouth.system.System(force_field=None)[source]¶

Bases: object

A system of molecules.

molecules¶

The molecules in the system.

Type:: list[Molecule]

add_molecule(molecule)[source]¶

Add a molecule to the system.

Parameters:: molecule (Molecule)

copy()[source]¶

Creates a copy of this system and it’s molecules.

Returns:: A deep copy of this system.
Return type:: System

property force_field¶: The forcefield used to describe the molecules in this system.

property num_particles¶: The total number of particles in all the molecules in this system.