X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=ctest%2Fnewcorr%2Fprota_unres_energy_check_mult.sh;h=b47ae04e28ad6473e1d2536b0a127b4797cb9b40;hb=f2239c3f30cf986640679a434e92dc786c002040;hp=66b253644d99ab2acd5cb3db5a2ac19f347bd852;hpb=71b26514d8aab0a81d29387838f60bfe95a74711;p=unres.git diff --git a/ctest/newcorr/prota_unres_energy_check_mult.sh b/ctest/newcorr/prota_unres_energy_check_mult.sh index 66b2536..b47ae04 100755 --- a/ctest/newcorr/prota_unres_energy_check_mult.sh +++ b/ctest/newcorr/prota_unres_energy_check_mult.sh @@ -154,8 +154,8 @@ elif [ "$1" == "1DKZcut-lang" ]; then elif [ "$1" == "1DKZcut-min" ]; then extremediff="10.0" # extreme energy difference, comething went terribly wrong - expectenergy="-108.0871" # - expected total energy - cutoffdiff="8.0" # energy cutoff variation - more then this rises warning + expectenergy="-154.36" # - expected total energy + cutoffdiff="10.0" # energy cutoff variation - more then this rises warning sumsl_return=`grep SUMSL $file|awk '{print $4}'` echo 'SUMSL return code' $sumsl_return