cgexplore.forcefields.MartiniTopology

class cgexplore.forcefields.MartiniTopology(itp_file)[source]

Bases: object

Contains the MartiniTopFile.

Methods

get_openmm_system

Return OpenMM.System object.

get_openmm_topology

Return OpenMM.Topology object.

Parameters:

itp_file (Path)

get_openmm_system()[source]

Return OpenMM.System object.

Return type:

System

get_openmm_topology()[source]

Return OpenMM.Topology object.

Return type:

Topology