#!/bin/bash

bindir='../../../dist/bin/i686-pc-linux-gnu'

coord='-3.000 -2.750 -2.500 -2.250 -2.000 -1.750 -1.50 -1.250 -1.00 -0.750 
       -0.500 -0.250 0.000 0.250 0.500 0.750 1.000 1.250 1.500 1.750 2.000 
       2.250 2.500 2.750 3.000'

for i in $coord; do
  echo "Moving ion to $i..."
# TO TRANSLATE IN THE X DIRECTION:
  echo "ATOM      1  I   ION     1      -3.000   0.000   0.000  1.00  2.00" \
     > mol1.pqr
  echo "ATOM      1  I   ION     1      $i    0.000   0.000  1.00 2.00"\
     > mol2.pqr
  cat mol1.pqr mol2.pqr > complex.pqr
  ${bindir}/apbs apbs.in > OUTPUT_${i} 2>&1
done
