X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=ctest%2Fdfa%2Fwham_check.sh;h=5f408aa5c0a54b42414a9d00f4067bbe5afc9d95;hb=ebc6bea71fff22edef1e69f813c050510fdce00f;hp=203ca2a81a77e29369a6e6e0fd74f832e909f695;hpb=bc76b87e4047a43ab05ddda45eb2dc1eae401410;p=unres.git

diff --git a/ctest/dfa/wham_check.sh b/ctest/dfa/wham_check.sh
index 203ca2a..5f408aa 100755
--- a/ctest/dfa/wham_check.sh
+++ b/ctest/dfa/wham_check.sh
@@ -25,15 +25,15 @@ echo 'average rms for T<260 ' $rms
   error=1
  fi
 
- if [ `echo "a=$max-242;if(0>a)a*=-1;a>10.0"|bc -l` != "0" ]; then
+ if [ `echo "a=$max-309;if(0>a)a*=-1;a>10.0"|bc -l` != "0" ]; then
   echo 'ERROR wrong T max of Cv(T) by more than 10 K'
   error=1
  fi
 
-# if [ `echo "a=$rms-3.0;if(0>a)a*=-1;a>0.2"|bc -l` != "0" ]; then
-#  echo 'ERROR wrong average rms for T<260 by more than 0.2'
-#  error=1
-# fi
+if [ `echo "a=$rms-1.36;if(0>a)a*=-1;a>0.2"|bc -l` != "0" ]; then
+  echo 'ERROR wrong average rms for T<260 by more than 0.2'
+  error=1
+fi
 
  if [ "$error" != "0" ];then
    exit 1