OpenMM helper ============= This module provides various tools to simplify the usage or extend the functionality of OpenMM. Mainly, they can be categorized into file parsers, pre-constructed forces and reporters. Forces ------ .. currentmodule:: mstk.ommhelper.force .. autosummary:: :toctree: _generated slab_correction restrain_particle_number wall_lj126 wall_power point_wall_power electric_field spring_self CLPolCoulTT Reporters --------- .. currentmodule:: mstk.ommhelper.reporter .. autosummary:: :toctree: _generated/ ViscosityReporter DrudeTemperatureReporter GroReporter CheckpointReporter StateDataReporter Parsers ------- .. currentmodule:: mstk.ommhelper .. autosummary:: :toctree: _generated/ GroFile