#!/bin/csh -f

# First read in alanine dipeptide, and write out a set of charmm files

../../../bin/antechamber -fi mol2 -fo charmm -i ala2.mol2 -o ala2 \
   -s 2 -rn ALA >& antechamber.out || goto error


# Secondly, read in the generated charmm file and generate a new mol2 file
# with AMBER atom type

../../../bin/antechamber -fi charmm -fo mol2 -i ala2.inp -o ala2_charmm.mol2 \
   -at amber -s 2 -pf yes >& antechamber.out || goto error


../../dacdif -t 1 ala2.inp.save ala2.inp
../../dacdif -r 1.e-3 ala2.rtf.save ala2.rtf
../../dacdif -t 1 ala2.prm.save ala2.prm
../../dacdif -r 1.e-3 ala2_charmm.mol2.save ala2_charmm.mol2

exit(0)

error:
# "  ${0}:  Program error"
exit(1)