Assemble!

Assemble! is a tool aimed at generating atomistic polymeric mixtures ready for simulation in Gromacs. It is developed by Dr Matteo Degiacomi and Dr Valentina Erastova. Source code is distributed along with tutorial and user manual.

Requirements

Executing Assemble! from source requires Python 2.7 or >3.0, as well as numpy and wxpython >=4.0 packages.

Reference

When using Assemble! in your work, please cite the following publication: M. T. Degiacomi, V. Erastova, M. R. Wilson, Easy setup of molecular dynamics simulations of polymeric mixtures with Assemble!, Computer Physics Communications, Volume 202, 304-309, 2016

Contact

For any questions, please contact matteo.degiacomi@gmail.com or valentina.erastova@gmail.com