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ctest UNRES_M_ss_static_min
[unres.git]
/
ctest
/
prota_unres_energy_check_mult.sh
diff --git
a/ctest/prota_unres_energy_check_mult.sh
b/ctest/prota_unres_energy_check_mult.sh
index
4f4be70
..
bc61564
100755
(executable)
--- a/
ctest/prota_unres_energy_check_mult.sh
+++ b/
ctest/prota_unres_energy_check_mult.sh
@@
-183,9
+183,9
@@
elif [ "$1" == "1DKZcut-micro" ]; then
fi
elif [ "$1" == "1ei0_min" ]; then
fi
elif [ "$1" == "1ei0_min" ]; then
- extremediff="10.0" # extreme energy difference, comething went terribly wrong
+ extremediff="20.0" # extreme energy difference, comething went terribly wrong
expectenergy="141.9976" # - expected total energy
expectenergy="141.9976" # - expected total energy
- cutoffdiff="6.0" # energy cutoff variation - more then this rises warning
+ cutoffdiff="10.0" # energy cutoff variation - more then this rises warning
refe="134.706"
startene=`grep ETOT $file|head -1| awk '{print $2*1.0}'`
refe="134.706"
startene=`grep ETOT $file|head -1| awk '{print $2*1.0}'`