Assemble!

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Assemble! [1] is a program designed for the preparation of molecular dynamics simulations of polymeric systems. The program is controlled either via command line or an intuitive Graphical User Interface, and runs on all major operating systems. Assemble! allows the creation of a desired system of polymer chains from constituent monomers, packs the chains into a box according to the required concentration and returns all the files needed for simulation with GROMACS.

References[edit]

  1. ↑ Matteo T. Degiacomi, Valentina Erastova, and Mark R. Wilson "Easy creation of polymeric systems for molecular dynamics with Assemble!", Computer Physics Communications 202 pp. 304-309 (2016)
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