a tool for creating Molecular Dynamics-ready models of polymeric systems


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.


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, 304309, 2016


For any questions, please contact or