X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=ctest%2Fdfa%2Fwham_check.sh;h=203ca2a81a77e29369a6e6e0fd74f832e909f695;hb=87403bae5cc77cd5d64bca5163f18a1ab12b7aed;hp=0f11a4e9ec2194e13c1558f750097e14cbbfadab;hpb=f37cfff89ef75a184b0c7bbbac2ecea2efc1d157;p=unres.git diff --git a/ctest/dfa/wham_check.sh b/ctest/dfa/wham_check.sh index 0f11a4e..203ca2a 100755 --- a/ctest/dfa/wham_check.sh +++ b/ctest/dfa/wham_check.sh @@ -25,7 +25,7 @@ echo 'average rms for T<260 ' $rms error=1 fi - if [ `echo "a=$max-514;if(0>a)a*=-1;a>10.0"|bc -l` != "0" ]; then + if [ `echo "a=$max-242;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