X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=ctest%2Fdock%2Fwham_check.sh;fp=ctest%2Fdock%2Fwham_check.sh;h=baa23ac753153e5d9c7ffe3c616250538b1c2506;hb=a41c0a93eccae628b3f98c627c8a1291022a903d;hp=1cb888cb8ea7a78bc28aa2ae8b3b226a9102952c;hpb=0c54565e07563e4495b18e8ccf9b0974c295c1f9;p=unres.git

diff --git a/ctest/dock/wham_check.sh b/ctest/dock/wham_check.sh
index 1cb888c..baa23ac 100755
--- 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=$max-293;if(0>a)a*=-1;a>10.0"|bc -l` != "0" ]; then
-  echo 'ERROR wrong T max of Cv(T) by more than 10 K'
+ if [ `echo "a=$max-313;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=$rms-9.3;if(0>a)a*=-1;a>0.2"|bc -l` != "0" ]; then
-  echo 'ERROR wrong average rms for T<280 by more than 0.2'
+ if [ `echo "a=$rms-8.6;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'
   error=1
  fi