X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;ds=sidebyside;f=ctest%2Fprota_unres_energy_check.sh;h=23040136981928ed7f22b11fb0eb62fe1f0b09f6;hb=3c778a8ada37cdef242767f055fa7c4ae0f92c17;hp=4ce1a5c83854d9e51a8be613d19f3df2dcee091f;hpb=27d0898cd1f4b898e6b044f96d7f28615e23fadb;p=unres.git diff --git a/ctest/prota_unres_energy_check.sh b/ctest/prota_unres_energy_check.sh index 4ce1a5c..2304013 100755 --- a/ctest/prota_unres_energy_check.sh +++ b/ctest/prota_unres_energy_check.sh @@ -65,8 +65,8 @@ elif [ "$1" == "1l2y_micro" ]; then if [ `echo "a=${array[0]}-${refe};if(0>a)a*=-1;a>5.0"|bc -l` != "0" ]; then echo 'difference ' `echo "a=${array[0]}-${refe};if(0>a)a*=-1;a"|bc -l` "from reference ave etot ${refe} greater than 5.0" exit 1 - elif [ `echo "a=${array[1]};a>0.25"|bc -l` != "0" ]; then - echo 'standard deviation greater than 0.25' + elif [ `echo "a=${array[1]};a>0.30"|bc -l` != "0" ]; then + echo 'standard deviation greater than 0.30' exit 1 else exit 0