X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=ctest%2Fprota_unres_energy_check_mult.sh;h=5234ae28bc3a6ccffaa7d8a6c7143a93f7c46bc1;hb=86886a26ed819c4ffbebde7161be16224e35b50d;hp=45cdb340915da39e60e8571524bd847d74b54b22;hpb=08829993c7985c61bc5c0e10e7207aaa0aa309cd;p=unres.git diff --git a/ctest/prota_unres_energy_check_mult.sh b/ctest/prota_unres_energy_check_mult.sh index 45cdb34..5234ae2 100755 --- a/ctest/prota_unres_energy_check_mult.sh +++ b/ctest/prota_unres_energy_check_mult.sh @@ -310,7 +310,8 @@ fi #myene=`echo $blaene |bc` #diff=`echo $myene"+("$expectenergy")"|bc` #absdiff=`echo $diff| sed 's/-//'` -absdiff=`awk "function abs(v) {return v < 0 ? -v : v}BEGIN{print $grepene+$expectenergy}"` +myene=$grepene +absdiff=`awk "function abs(v) {return v < 0 ? -v : v}BEGIN{print abs($grepene+$expectenergy)}"` true1=`echo "$absdiff >= $extremediff"|bc` if [ $true1 -eq 1 ]; then