* The pointers tng, x, v, f may be NULL, which triggers not writing
* (that component). box can only be NULL if x is also NULL. */
void gmx_fwrite_tng(gmx_tng_trajectory_t tng,
- const gmx_bool bUseLossyCompression,
+ gmx_bool bUseLossyCompression,
int64_t step,
real elapsedPicoSeconds,
real lambda,
* the number of all other molecules to 0. Works similar to a
* selection group. */
void gmx_tng_setup_atom_subgroup(gmx_tng_trajectory_t tng,
- const int nind,
+ int nind,
const int *ind,
const char *name);