ir->nstlist = nstlist_cmdline;
}
- verletbuf_get_list_setup(bGPU, &ls);
+ verletbuf_get_list_setup(TRUE, bGPU, &ls);
/* Allow rlist to make the list a given factor larger than the list
* would be with the reference value for nstlist (10).
* calc_verlet_buffer_size gives the same results for 4x8 and 4x4
* and 4x2 gives a larger buffer than 4x4, this is ok.
*/
- verletbuf_get_list_setup(bUseGPU, &ls);
+ verletbuf_get_list_setup(TRUE, bUseGPU, &ls);
calc_verlet_buffer_size(mtop, det(box), ir, -1, &ls, NULL, &rlist_new);