This is a collection of coarse-graining tutorials using the 
VOTCA package. Further information on VOTCA can be found at
http://www.votca.org

The development of VOTCA is mainly funded by academic research grants.
If you use this package, please cite the VOTCA paper:

* Versatile Object-oriented Toolkit for Coarse-graining Applications,
  V.Ruehle, C. Junghans, A. Lukyanov, K. Kremer, D. Andrienko,
  J. Chem. Theo. Comp. 5 (12), 3211 (2009)

In case of questions, please post them in the google discussion group
for votca at http://groups.google.com/group/votca

You can contact the VOTCA Development Team at devs@votca.org.


The following tutorials (compare with paper above) are included. They all rely
on Gromacs unless specified otherwise:

spce/atomistic             atomistic reference simulations for SPC/E water
spce/ibi                   boltzmann inversion for SPC/E water
spce/imc                   inverse monte carlo for SPC/E water
spce/realtime              boltzmann inversion realtime tutorial for SPC/E water
spce/tf                    thermodynamic force example for SPC/E water

methanol/atomistic         atomistic simulations for methanol
methanol/ibi               boltzmann inversion for methanol
methanol/ibi_espresso      boltzmann inversion for methanol using ESPResSo
methanol/imc               inverse monte carlo for methanol

propane/atomistic          atomistic simulations for liquid propane
propane/ibi                iterative inverse boltzmann for nonbonded
                           interactions of liquid propane
propante/ibi_espresso      iterative inverse boltzmann for nonbonded
                           interactions of liquid propane using ESPResSo
propane/single_chain       atomistic simulations, boltzmann inversion 
                           and force matching for a single chain of propane

hexane/atomistic           atomistic simulations for liquid hexane
hexane/ibi                 iterative inverse boltzmann for nonbonded
                           interactions of liquid hexane

each of the tutorials contains a run.sh which lists all commands
needed to execute the tutorial. 

