X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=ctest%2Fnewcorr%2Fprota_unres_energy_check_mult.sh;h=66b253644d99ab2acd5cb3db5a2ac19f347bd852;hb=86886a26ed819c4ffbebde7161be16224e35b50d;hp=3678a03a242c3ccb53df5acb8f2b1d14b8b2d08a;hpb=08829993c7985c61bc5c0e10e7207aaa0aa309cd;p=unres.git diff --git a/ctest/newcorr/prota_unres_energy_check_mult.sh b/ctest/newcorr/prota_unres_energy_check_mult.sh index 3678a03..66b2536 100755 --- a/ctest/newcorr/prota_unres_energy_check_mult.sh +++ b/ctest/newcorr/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