@ -470,7 +470,7 @@ if opt.software == 'dcdftb':
cd $PWD
$DCDFTB_COMMAND
mv dftb.out cmmd.out
if [-f traject.xyz]; then
if [ -f traject.xyz ]; then
mv traject traject.xyz
fi""",file=fout)
os.system("chmod +x run.sh")