VOTCA USER MANUAL VOHA Versatile Object oriented Toolkit for Coarse graining Applications Modular C kernel Iterative Boltzmann inversion Scripting for iterative workflow Inverse Monte Carlo Simple integration of other simulation packages Force matching January 10 2012 Version 1 2 2 a80d968f3054 Programs version fbc0d992ac0e VOTCA development team www votca org Contents Introduction Theoretical background Map pines xe xat m hub
VOTCA USER MANUAL VOHA Versatile Object oriented Toolkit for Coarse graining Applications Modular C kernel Iterative Boltzmann inversion Scripting for iterative workflow Inverse Monte Carlo Simple integration of other simulation packages Force matching August 31 2014 Version 1 2 4 867f09edac05 Programs version 44f48249bf70 VOTCA development team www votca org Contents Separation of bonded and non bonded degrees of freedom 4 1 Generat