Merge release-4-6 into release-5-0

[alexxy/gromacs.git] / src / gromacs / gmxana / gmx_current.c

diff --git a/src/gromacs/gmxana/gmx_current.c b/src/gromacs/gmxana/gmx_current.c
index c706b40be5b1c35159b77c012b2c4ca38f57ba81..ec1a988f5d85c8713b2ca3580f575d0be8be1b03 100644 (file)
--- a/src/gromacs/gmxana/gmx_current.c
+++ b/src/gromacs/gmxana/gmx_current.c
@@ -138,7 +138,7 @@ static gmx_bool precalc(t_topology top, real mass2[], real qmol[])
         }
     }
 
-    if (abs(qall) > 0.01)
+    if (fabs(qall) > 0.01)
     {
         printf("\n\nSystem not neutral (q=%f) will not calculate translational part of the dipole moment.\n", qall);
         bNEU = FALSE;