From: Cezary Czaplewski <czarek@chem.univ.gda.pl>
Date: Sun, 15 Mar 2020 22:27:46 +0000 (+0100)
Subject: isnan logical isnan(potEcomp(0)).gt.0
X-Git-Tag: v.3.3.0~132
X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=commitdiff_plain;h=a7f6c0ca4571da550f1bdbe1c43398f220e9b454;hp=b6e44584752243911a717a94aa770b3c1f52f3b8;p=unres.git

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

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
--- 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