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executable file 24 lines (19 sloc) 0.581 kB
#! /bin/bash
if ($RMG)
then
echo "Environment variable \$RMG is not defined. Please set to the location of your RMG installation."
exit
fi
if [ ! -e "$RMG/bin/RMG.jar" ]
then
echo "$RMG/bin/RMG.jar not found; please compile using ant.";
exit
fi
if [ ! -e "input.txt" ]
then
echo "Error: input.txt not found. Please create an ThermoDataEstimator input file before running.";
exit
fi
echo "Running ThermoDataEstimator..."
java -Xmx500m -classpath $RMG/bin/RMG.jar ThermoDataEstimator input.txt 2>&1 | tee RMG.log
echo "ThermoDataEstimator job completed."
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