isnan logical isnan(potEcomp(0)).gt.0

[unres.git] / source / unres / src_MD-M-SAXS-homology / MD_A-MTS.F

diff --git a/source/unres/src_MD-M-SAXS-homology/MD_A-MTS.F b/source/unres/src_MD-M-SAXS-homology/MD_A-MTS.F
index 4346d00..a8efa20 100644 (file)
--- a/source/unres/src_MD-M-SAXS-homology/MD_A-MTS.F
+++ b/source/unres/src_MD-M-SAXS-homology/MD_A-MTS.F
@@ -403,7 +403,7 @@ c Calculate energy and forces
         call zerograd
         call etotal(potEcomp)
 ! AL 4/17/17: Reduce the steps if NaNs occurred.
-        if (potEcomp(0).gt.0.99e20 .or. isnan(potEcomp(0)).gt.0) then
+        if (potEcomp(0).gt.0.99e20 .or. isnan(potEcomp(0))) then
           d_time=d_time/2
           cycle
         endif