#!/bin/sh
#TEST-PROGRAM sander
#TEST-DESCRIP TO_BE_DEtermined
#TEST-PURPOSE regression, basic
#TEST-STATE   undocumented
#
#  script to create a sander-formatted shifts input file from an observed
#  (proton) shifts file
#
#  [The "shifts" program needs to be in your path, or else you should 
#  modify the followling line.]
#
shifts -readobs -sander '::H*' gcg10