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dock wham diff
[unres.git]
/
ctest
/
dock
/
wham_check.sh
diff --git
a/ctest/dock/wham_check.sh
b/ctest/dock/wham_check.sh
index
1cb888c
..
bdd5445
100755
(executable)
--- a/
ctest/dock/wham_check.sh
+++ b/
ctest/dock/wham_check.sh
@@
-25,12
+25,12
@@
echo 'average rms for T<280 ' $rms
error=1
fi
error=1
fi
- if [ `echo "a=$max-293;if(0>a)a*=-1;a>10.0"|bc -l` != "0" ]; then
+ if [ `echo "a=$max-268;if(0>a)a*=-1;a>10.0"|bc -l` != "0" ]; then
echo 'ERROR wrong T max of Cv(T) by more than 10 K'
error=1
fi
echo 'ERROR wrong T max of Cv(T) by more than 10 K'
error=1
fi
- if [ `echo "a=$rms-9.3;if(0>a)a*=-1;a>0.2"|bc -l` != "0" ]; then
+ if [ `echo "a=$rms-2.2;if(0>a)a*=-1;a>0.2"|bc -l` != "0" ]; then
echo 'ERROR wrong average rms for T<280 by more than 0.2'
error=1
fi
echo 'ERROR wrong average rms for T<280 by more than 0.2'
error=1
fi