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ctest dock wham ref value
[unres.git]
/
ctest
/
dock_newcorr
/
wham_check.sh
diff --git
a/ctest/dock_newcorr/wham_check.sh
b/ctest/dock_newcorr/wham_check.sh
index
9549787
..
967e5fd
100755
(executable)
--- a/
ctest/dock_newcorr/wham_check.sh
+++ b/
ctest/dock_newcorr/wham_check.sh
@@
-25,12
+25,12
@@
echo 'average rms for T<280 ' $rms
error=1
fi
error=1
fi
- if [ `echo "a=$max-206;if(0>a)a*=-1;a>100.0"|bc -l` != "0" ]; then
- echo 'ERROR wrong T max of Cv(T) by more than 100 K'
+ if [ `echo "a=$max-270;if(0>a)a*=-1;a>50.0"|bc -l` != "0" ]; then
+ echo 'ERROR wrong T max of Cv(T) by more than 50 K'
error=1
fi
error=1
fi
- if [ `echo "a=$rms-9.7;if(0>a)a*=-1;a>2.0"|bc -l` != "0" ]; then
+ if [ `echo "a=$rms-8.0;if(0>a)a*=-1;a>2.0"|bc -l` != "0" ]; then
echo 'ERROR wrong average rms for T<280 by more than 2.0'
error=1
fi
echo 'ERROR wrong average rms for T<280 by more than 2.0'
error=1
fi