#include <vector>
#include "gromacs/gpu_utils/hostallocator.h"
-#include "gromacs/mdtypes/mdatom.h"
#include "gromacs/utility/basedefinitions.h"
#include "gromacs/utility/real.h"
#include "gromacs/utility/unique_cptr.h"
struct gmx_mtop_t;
struct t_inputrec;
+struct t_mdatoms;
namespace gmx
{