ctest dock wham ref value

diff --git a/ctest/dock/wham_check.sh b/ctest/dock/wham_check.sh
index bdd5445..3b29592 100755 (executable)
--- a/ctest/dock/wham_check.sh
+++ b/ctest/dock/wham_check.sh
@@ -25,13 +25,13 @@ echo 'average rms for T<280 ' $rms
   error=1
  fi
 
- if [ `echo "a=$max-268;if(0>a)a*=-1;a>10.0"|bc -l` != "0" ]; then
-  echo 'ERROR wrong T max of Cv(T) by more than 10 K'
+ if [ `echo "a=$max-290;if(0>a)a*=-1;a>50.0"|bc -l` != "0" ]; then
+  echo 'ERROR wrong T max of Cv(T) by more than 50 K'
   error=1
  fi
 
- if [ `echo "a=$rms-2.2;if(0>a)a*=-1;a>0.2"|bc -l` != "0" ]; then
-  echo 'ERROR wrong average rms for T<280 by more than 0.2'
+ if [ `echo "a=$rms-8.5;if(0>a)a*=-1;a>2.0"|bc -l` != "0" ]; then
+  echo 'ERROR wrong average rms for T<280 by more than 2.0'
   error=1
  fi
 

diff --git a/ctest/dock_newcorr/wham_check.sh b/ctest/dock_newcorr/wham_check.sh
index 9549787..967e5fd 100755 (executable)
--- a/ctest/dock_newcorr/wham_check.sh
+++ b/ctest/dock_newcorr/wham_check.sh
@@ -25,12 +25,12 @@ echo 'average rms for T<280 ' $rms
   error=1
  fi
 
- if [ `echo "a=$max-206;if(0>a)a*=-1;a>100.0"|bc -l` != "0" ]; then
-  echo 'ERROR wrong T max of Cv(T) by more than 100 K'
+ if [ `echo "a=$max-270;if(0>a)a*=-1;a>50.0"|bc -l` != "0" ]; then
+  echo 'ERROR wrong T max of Cv(T) by more than 50 K'
   error=1
  fi
 
- if [ `echo "a=$rms-9.7;if(0>a)a*=-1;a>2.0"|bc -l` != "0" ]; then
+ if [ `echo "a=$rms-8.0;if(0>a)a*=-1;a>2.0"|bc -l` != "0" ]; then
   echo 'ERROR wrong average rms for T<280 by more than 2.0'
   error=1
  fi