X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=ctest%2Fprota_unres_energy_check.sh;h=1a8d6022c0e4687ebe9b3786d2a8636da51cd938;hb=c987a84c8742686406ea6b8807c9132098dc567e;hp=febf018f1b32adacd3d6c120e3f7b2bffc2c6bd5;hpb=86404de591165cb3b0570889f76e3c0b65cf172a;p=unres.git

diff --git a/ctest/prota_unres_energy_check.sh b/ctest/prota_unres_energy_check.sh
index febf018..1a8d602 100755
--- a/ctest/prota_unres_energy_check.sh
+++ b/ctest/prota_unres_energy_check.sh
@@ -266,8 +266,8 @@ elif [ "$1" == "remd_dfa" ]; then
  grep ACC remd_dfa.out_GB000 |tail -7
  exchange=`grep ACC remd_dfa.out_GB000 |tail -7|awk '{a=a+$4}END{print a/NR}'`
  echo "average exchange = ${exchange}"
- if [ `echo "a=${exchange};a<0.1"|bc -l` != "0" ]; then
-    echo 'ERROR average exchange smaller than 0.1'
+ if [ `echo "a=${exchange};a<0.05"|bc -l` != "0" ]; then
+    echo 'ERROR average exchange smaller than 0.05'
     exit 1
  else
     exit 0