ctest unres-dock wham correction

[unres.git] / ctest / dock / wham_check.sh

diff --git a/ctest/dock/wham_check.sh b/ctest/dock/wham_check.sh
index baa23ac..5f828cf 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=$max-313;if(0>a)a*=-1;a>100.0"|bc -l` != "0" ]; then
+ if [ `echo "a=$max-268;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'
   error=1
  fi
 
- if [ `echo "a=$rms-8.6;if(0>a)a*=-1;a>2.0"|bc -l` != "0" ]; then
-  echo 'ERROR wrong average rms for T<280 by more than 2.0'
+ if [ `echo "$rms<0 || $rms >11"|bc -l` != "0" ]; then
+  echo 'ERROR wrong average rms >11'
   error=1
  fi