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39 #include "types/membedt.h"
45 /* initialisation of membed code */
46 gmx_membed_t
init_membed(FILE *fplog
, int nfile
, const t_filenm fnm
[], gmx_mtop_t
*mtop
,
47 t_inputrec
*inputrec
, t_state
*state
, t_commrec
*cr
, real
*cpt
);
49 /* rescaling the coordinates voor de membed code */
50 void rescale_membed(int step_rel
, gmx_membed_t membed
, rvec
*x
);