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Fix calc_grid avoiding PME grid factor 84
[alexxy/gromacs.git]
/
src
/
gromacs
/
gmxlib
/
calcgrid.c
diff --git
a/src/gromacs/gmxlib/calcgrid.c
b/src/gromacs/gmxlib/calcgrid.c
index 3d1e70d909ef0bb0932bbd80df9cd12976c46120..81856d489c877e5d0e97fad3423a90fecc815b77 100644
(file)
--- a/
src/gromacs/gmxlib/calcgrid.c
+++ b/
src/gromacs/gmxlib/calcgrid.c
@@
-137,7
+137,7
@@
real calc_grid(FILE *fp, matrix box, real gr_sp,
/* 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;
}