X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=ctest%2Fprota_unres_energy_check.sh;h=35350ffa0e4b2a1c4ecd2aa11a27c8f219618eed;hb=6f4812f8cae1820068cac3ca295417ef1bae5526;hp=b0bf3c58ab4d3551d363f476a3d675bdd7e0827c;hpb=44daa734e23323a2889a86bfe873bc6b7a603597;p=unres.git

diff --git a/ctest/prota_unres_energy_check.sh b/ctest/prota_unres_energy_check.sh
index b0bf3c5..35350ff 100755
--- a/ctest/prota_unres_energy_check.sh
+++ b/ctest/prota_unres_energy_check.sh
@@ -65,8 +65,8 @@ elif [ "$1" == "1l2y_micro" ]; then
  if [ `echo "a=${array[0]}-${refe};if(0>a)a*=-1;a>5.0"|bc -l` != "0" ]; then
   echo 'difference ' `echo "a=${array[0]}-${refe};if(0>a)a*=-1;a"|bc -l` "from reference ave etot ${refe} greater than 5.0"
   exit 1
- elif [ `echo "a=${array[1]};a>0.05"|bc -l` != "0" ]; then
-  echo 'standard deviation greater than 0.05'
+ elif [ `echo "a=${array[1]};a>0.1"|bc -l` != "0" ]; then
+  echo 'standard deviation greater than 0.1'
   exit 1
  else
   exit 0
@@ -163,8 +163,8 @@ elif [ "$1" == "1DKZcut-micro" ]; then
  if [ `echo "a=${array[0]}-(${refe});if(0>a)a*=-1;a>5.0"|bc -l` != "0" ]; then
   echo 'difference ' `echo "a=${array[0]}-${refe};if(0>a)a*=-1;a"|bc -l` "from reference ave etot ${refe} greater than 5.0"
   exit 1
- elif [ `echo "a=${array[1]};a>0.05"|bc -l` != "0" ]; then
-  echo 'standard deviation greater than 0.05'
+ elif [ `echo "a=${array[1]};a>0.005"|bc -l` != "0" ]; then
+  echo 'standard deviation greater than 0.005'
   exit 1
  else
   exit 0