#! /bin/csh -f
echo " "
echo "  Amber  demo/crown_ether: normal mode analysis"
echo " "

echo "nmode: minimization of crown in vacuum:"

../../../exe/nmode -O \
	-i nmode_min.in \
	-o nmode_min.out \
	-p ../setup/crown.top \
	-c ../setup/crown.crd \
	-r nmode_min.rst 			||	goto error

echo "nmode: frequencies and thermodynamic analysis:"

../../../exe/nmode -O \
	-i nmode.in \
	-o nmode.out \
	-p ../setup/crown.top \
	-c nmode_min.rst \
	-v nmode.vec				||	goto error

exit(0)
echo "nmode: polar minimization of crown in vacuum:"

../../../exe/nmode -O \
	-i nmode_min_pol.in \
	-o nmode_min_pol.out \
	-p ../setup/crown_pol.top \
	-c ../setup/crown_pol.crd \
	-r nmode_min_pol.rst 			||	goto error

echo No errors detected
exit(0)

error:
echo "Program error - check .out & retry"
exit(1)