X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=ctest%2Fnewcorr%2Fwham_check.sh;h=7ca370bd679f8138201dce2248f98150363d4788;hb=03871d2c4351617b46d66c6b8f3adbf7b1c5693a;hp=40a7bfed7b4a4eeeac96b3f720e1c199d4bd3bc1;hpb=da590a401608c2195b56bcc30d13f2b5029c7ddb;p=unres.git diff --git a/ctest/newcorr/wham_check.sh b/ctest/newcorr/wham_check.sh index 40a7bfe..7ca370b 100755 --- a/ctest/newcorr/wham_check.sh +++ b/ctest/newcorr/wham_check.sh @@ -25,12 +25,12 @@ echo 'average rms for T<260 ' $rms error=1 fi - if [ `echo "a=$max-316;if(0>a)a*=-1;a>10.0"|bc -l` != "0" ]; then + if [ `echo "a=$max-257;if(0>a)a*=-1;a>10.0"|bc -l` != "0" ]; then echo 'ERROR wrong T max of Cv(T) by more than 10 K' error=1 fi - if [ `echo "a=$rms-3.0;if(0>a)a*=-1;a>0.2"|bc -l` != "0" ]; then + if [ `echo "a=$rms-3.2;if(0>a)a*=-1;a>0.2"|bc -l` != "0" ]; then echo 'ERROR wrong average rms for T<260 by more than 0.2' error=1 fi