const gmx_multisim_t *ms,
const t_state *state,
const t_inputrec *ir,
- int nst,int init_seed);
+ int nst, int nmultiex, int init_seed);
/* Should only be called on the master nodes */
extern gmx_bool replica_exchange(FILE *fplog,
const t_commrec *cr,
gmx_repl_ex_t re,
- t_state *state,real *ener,
+ t_state *state,gmx_enerdata_t *enerd,
t_state *state_local,
gmx_large_int_t step,real time);
/* Attempts replica exchange, should be called on all nodes.