ctest ref 1DKZcut-min

[unres.git] / ctest / newcorr / prota_unres_energy_check_mult.sh

diff --git a/ctest/newcorr/prota_unres_energy_check_mult.sh b/ctest/newcorr/prota_unres_energy_check_mult.sh
index 66b2536..b47ae04 100755 (executable)
--- a/ctest/newcorr/prota_unres_energy_check_mult.sh
+++ b/ctest/newcorr/prota_unres_energy_check_mult.sh
@@ -154,8 +154,8 @@ elif [ "$1" == "1DKZcut-lang" ]; then
 
 elif [ "$1" == "1DKZcut-min" ]; then
  extremediff="10.0"                    # extreme energy difference, comething went terribly wrong
- expectenergy="-108.0871"              # - expected total energy
- cutoffdiff="8.0"                      # energy cutoff variation - more then this rises warning  
+ expectenergy="-154.36"                # - expected total energy
+ cutoffdiff="10.0"                     # energy cutoff variation - more then this rises warning  
  
  sumsl_return=`grep SUMSL $file|awk '{print $4}'`
  echo 'SUMSL return code' $sumsl_return