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gmx::FepStateSetting Class Reference

#include <gromacs/modularsimulator/freeenergyperturbationdata.h>


Allows external clients to specify how to change the FEP state.

Public Member Functions

void signalSettingStep (Step step)
 Signal (during task scheduling) that a signal stepping step will happen.
void setNewState (int state, Step step)
 Set new state at specific step (called during simulation run)


class FreeEnergyPerturbationData::Element

The documentation for this class was generated from the following files: