From: Cezary Czaplewski <czarek@chem.univ.gda.pl>
Date: Fri, 20 Mar 2020 13:33:34 +0000 (+0100)
Subject: ctest wham newcorr
X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=commitdiff_plain;h=223f8f78286188a4cdf1b4d0b05205adc9b22912

ctest wham newcorr
---

diff --git a/ctest/dock_newcorr/wham_check.sh b/ctest/dock_newcorr/wham_check.sh
index bdd5445..9549787 100755
--- a/ctest/dock_newcorr/wham_check.sh
+++ b/ctest/dock_newcorr/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-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'
   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-9.7;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