Merge release-5-0 into master

[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 171a7a91c24a01075cead154acbab4a26a0306b1..5154ae2ece25295727c0c6eed6135497379e8e3c 100644 (file)
--- a/src/gromacs/gmxana/gmx_current.c
+++ b/src/gromacs/gmxana/gmx_current.c
@@ -141,7 +141,7 @@ 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;