#!/bin/sh

. ../program_error.sh

if [ "$DO_PARALLEL" != "" ];  then
    NAB="mpinab"
else
    NAB="nab"
fi

echo "Running test to do simple minimization with shake"
echo "(this tests the molecular mechanics interface)"
echo ""
../../bin/$NAB -o sff rattle_min.nab || error
$DO_PARALLEL ./sff > rattle_min.out || error

../dacdif rattle_min.out.check rattle_min.out

rm -f sff rattle_min.c
exit 0