typedef struct {
int eI; /* Integration method */
- gmx_large_int_t nsteps; /* number of steps to be taken */
+ gmx_int64_t nsteps; /* number of steps to be taken */
int simulation_part; /* Used in checkpointing to separate chunks */
- gmx_large_int_t init_step; /* start at a stepcount >0 (used w. tpbconv) */
+ gmx_int64_t init_step; /* start at a stepcount >0 (used w. tpbconv) */
int nstcalcenergy; /* frequency of energy calc. and T/P coupl. upd. */
int cutoff_scheme; /* group or verlet cutoffs */
int ns_type; /* which ns method should we use? */