Assemble!: Difference between revisions
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Carl McBride (talk | contribs) (Created page with "'''Assemble!''' <ref>[http://dx.doi.org/10.1016/j.cpc.2015.12.026 Matteo T. Degiacomi, Valentina Erastova, and Mark R. Wilson "Easy creation of polymeric systems for molecular...") |
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Latest revision as of 13:58, 1 December 2016
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.