From: Cezary Czaplewski <czarek@chem.univ.gda.pl>
Date: Wed, 23 Mar 2016 01:25:43 +0000 (+0100)
Subject: ctest microcanoninal energy fluctuations limits adjusted
X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=commitdiff_plain;h=6f4812f8cae1820068cac3ca295417ef1bae5526

ctest microcanoninal energy fluctuations limits adjusted
---

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