Package schrodinger :: Package trajectory :: Module desmondsimulation :: Class FepSimulation

[frames] | no frames]

Class FepSimulation

DesmondSimulation --+
                    |
                   FepSimulation

A class for handling Fep Simulation

Instance Methods

__init__(self, cmsfile, trjfile, fep_idx_map, fep_atom_map)

Inherited from DesmondSimulation: analyze, getFrame, getFrameStructure, getFrameTime, getTimes, writeCms

Properties

Inherited from DesmondSimulation: charge, frame_iter, mass, total_frame, total_mass

Method Details

init(self, cmsfile, trjfile, fep_idx_map, fep_atom_map)
(Constructor)

Overrides: DesmondSimulation.__init__