freeenergyperturbationelement.cpp File Reference

#include "gmxpre.h"
#include "freeenergyperturbationelement.h"
#include "gromacs/mdlib/md_support.h"
#include "gromacs/mdlib/mdatoms.h"
#include "gromacs/mdtypes/inputrec.h"
#include "gromacs/mdtypes/mdatom.h"
#include "gromacs/mdtypes/state.h"

Include dependency graph for freeenergyperturbationelement.cpp:

Description

Defines the free energy perturbation element for the modular simulator.

Author

Pascal Merz pasca.nosp@m.l.me.nosp@m.rz@me.nosp@m..com