* To help us fund GROMACS development, we humbly ask that you cite
* the research papers on the package. Check out http://www.gromacs.org.
*/
-#ifdef HAVE_CONFIG_H
-#include <config.h>
-#endif
+#include "gmxpre.h"
+
+#include "gromacs/legacyheaders/calcgrid.h"
#include <math.h>
-#include "typedefs.h"
+#include "gromacs/legacyheaders/typedefs.h"
+#include "gromacs/utility/fatalerror.h"
#include "gromacs/utility/smalloc.h"
-#include "gmx_fatal.h"
-#include "calcgrid.h"
/* The grid sizes below are based on timing of a 3D cubic grid in fftw
* compiled with SSE using 4 threads in fft5d.c.
/* Determine how many pre-factors of 2 we need */
fac2 = 1;
i = g_baseNR - 1;
- while (fac2*grid_base[i-1] < nmin)
+ while (fac2*grid_base[i] < nmin)
{
fac2 *= 2;
}