X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=ctest%2Fprota_unres_energy_check_mult.sh;fp=ctest%2Fprota_unres_energy_check_mult.sh;h=8831cfef24c16d4eeb9ea7255c5b86c4727c6b31;hb=455b2d37bc67ae119290e3e2048e0ab1df408fd2;hp=565675a249a4c7ca32ad8b0eb9ff5c9346855894;hpb=44376bf4bd1506e522aab65be7556ddbdc91ec1d;p=unres.git

diff --git a/ctest/prota_unres_energy_check_mult.sh b/ctest/prota_unres_energy_check_mult.sh
index 565675a..8831cfe 100755
--- a/ctest/prota_unres_energy_check_mult.sh
+++ b/ctest/prota_unres_energy_check_mult.sh
@@ -57,7 +57,7 @@ elif [ "$1" == "1l2y_MIN_REGULAR_INT" ]; then
  fi
 
 elif [ "$1" == "1l2y_micro" ]; then
- refe="37.527"
+ refe="74.2623"
  stat=`awk '{if ( $1 != "#" ) {n++;a=a+$5;a2=a2+$5^2}}END{print a/n,sqrt((a2-a^2/n)/n)}' $file_stat`
  array=(${stat// / })
  echo 'average total energy ' ${array[0]}