Many-Body Bond Order dissection

1. Load MoleCuilder with the config file to be split up:

   ./molecuilder <PathToConfig>/acetanilide.conf
   

2. Create the connection matrix by entering: o 1.55
3. Create the Atomic and Bond Fragments by entering: f 1 b. This will use the BottomUp-approach to 1st order.
4. Quit MoleCuilder.
5. The config files of the fragments reside in the directory given as the defaultpath in the father config file (must exist).
6. Go to this directory and create all the necessary subdirs with:

   i=0
   while [ -e AtomicFragment${i}.conf ]; do 
     mkdir AtomicFragment${i}
     let i=$i+1
   done
   i=0
   while [ -e BondFragment${i}.conf ]; do
     mkdir BondFragment${i}
     let i=$i+1
   done
   

7. Start the simulations ...
8. Add the resulting total energy of each fragment according to the created file TE-Factors.dat.conf.