votca

Note

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RHEL7 Modules:

votca/1.4.1-stable
votca/1.5-dev

Description for votca:

Versatile Object-oriented Toolkit for Coarse-graining Applications is a Coarse-grained modeling package, which focuses on the analysis of molecular dynamics data, the development of systematic coarse-graining techniques as well as methods used for simulating microscopic charge transport in disordered semiconductors.

Using votca:

<add votca usage info here>

Documentation for votca:

www.votca.org