X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=ctest%2Fdock_newcorr%2Fwham_check.sh;h=59e39c06071b793cef9e56b373465d254bd2ad87;hb=64371924970fa55f2ec9a5f30a3dc5ab892c1a0e;hp=d7fee40668250be2fb9805f6ab4444c887a17f2c;hpb=35c8e91c4f679edb6bd47071b36b35e08f5e27bf;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