Here are all files you need to do a QM/MM(1B) optimization 
for a molecular crystal.

USAGE (details in the tutorial):

1. enter this directory
e.g.
cd /home/yalun/myoptimizer

2. run top.py inside of this directory
e.g.
python top.py


Then you can set your root directory, path of .cif file and 
your .dat file according to printed tips.

IMPORTANT IS:
you should edit and assign a new .dat file no matter where, 
but pls do not edit qmmm.dat in this directory directly. Because 
after several changes, you may lose this template and do not know 
how to edit it any more!