vermouth.system module

Provides a class to describe a system.

class vermouth.system.System(force_field=None)

Bases: object

A system of molecules.

molecules

The molecules in the system.

Type:list[Molecule]

add_molecule(molecule)

Add a molecule to the system.

Parameters:molecule (Molecule) –

copy()

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

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

force_field

The forcefield used to describe the molecules in this system.

num_particles

The total number of particles in all the molecules in this system.