X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=ctest%2Fdock_newcorr%2Fwham_check.sh;h=59e39c06071b793cef9e56b373465d254bd2ad87;hb=refs%2Fheads%2Fdevel;hp=d7fee40668250be2fb9805f6ab4444c887a17f2c;hpb=69ec264b1b2d00fe66a4ea23638ff9ae5531f8c4;p=unres.git diff --git a/ctest/dock_newcorr/wham_check.sh b/ctest/dock_newcorr/wham_check.sh index d7fee40..59e39c0 100755 --- a/ctest/dock_newcorr/wham_check.sh +++ b/ctest/dock_newcorr/wham_check.sh @@ -25,12 +25,12 @@ echo 'average rms for T<280 ' $rms error=1 fi - if [ `echo "a=$max-216;if(0>a)a*=-1;a>50.0"|bc -l` != "0" ]; then + if [ `echo "a=$max-266;if(0>a)a*=-1;a>50.0"|bc -l` != "0" ]; then echo 'ERROR wrong T max of Cv(T) by more than 50 K' error=1 fi - if [ `echo "a=$rms-8.0;if(0>a)a*=-1;a>4.0"|bc -l` != "0" ]; then + if [ `echo "a=$rms-1.8;if(0>a)a*=-1;a>4.0"|bc -l` != "0" ]; then echo 'ERROR wrong average rms for T<280 by more than 4.0' error=1 fi