X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=ctest%2Fdock_newcorr%2Fwham_check.sh;h=d7fee40668250be2fb9805f6ab4444c887a17f2c;hb=69ec264b1b2d00fe66a4ea23638ff9ae5531f8c4;hp=71b18a6d5e7f9f929857b50a64f023dbe5e1879c;hpb=503ddd0fa0ca1fd13f556c404042f85c0d1a06eb;p=unres.git diff --git a/ctest/dock_newcorr/wham_check.sh b/ctest/dock_newcorr/wham_check.sh index 71b18a6..d7fee40 100755 --- a/ctest/dock_newcorr/wham_check.sh +++ b/ctest/dock_newcorr/wham_check.sh @@ -25,7 +25,7 @@ echo 'average rms for T<280 ' $rms error=1 fi - if [ `echo "a=$max-270;if(0>a)a*=-1;a>50.0"|bc -l` != "0" ]; then + if [ `echo "a=$max-216;if(0>a)a*=-1;a>50.0"|bc -l` != "0" ]; then echo 'ERROR wrong T max of Cv(T) by more than 50 K' error=1 fi