Summary

Versatile Object-oriented Toolkit for Coarse-graining Applications (VOTCA) is a package intended to reduce the amount of routine work when doing systematic coarse-graining of various systems. The core is written in C++. Iterative methods are implemented using bash + perl.

Project development is mainly funded by academic research grants. If you use the VOTCA package, please cite:

• J. Chem. Theory Comput., 2009, 5 (12), pp 3211–3223

In case you are using (hybrid) force-matching approaches, please cite:

• Macromol. Theory Simul. 20, pp 472-477 (2011)

If you are interested in package extensions, such as kinetic Monte Carlo for charge transport simulations and Molecular Orbital Overlap codes, please visit the VOTCA-CTP project.

Install

see Installing