#!/bin/bash

for i in $1
do
   oldfolder=${i%[^0-9]}
   foldername=${oldfolder%_*}
   counter=${oldfolder: -2}
   let "counter=counter+1"
   newfolder=${foldername}_${counter}
   mkdir ${newfolder}

   cp ${oldfolder}/dft* ${oldfolder}/positions.xyz ${oldfolder}/mof-1.restart ${oldfolder}/BASIS ${oldfolder}/POTENTIAL ${newfolder}
   mv ${newfolder}/mof-1.restart ${newfolder}/nvt.inp
#   (cd ${newfolder} ; cp2k-breniac.sh nvt ; qsub submit.sh)
   (cd ${newfolder} ; cp2k-breniac.sh nvt)
done