(This tutorial is related to work published at https://doi.org/10.3390/nano12193379).
In this section, we will generate a polypropylene (PP) matrix and perform preliminary calculations to analyze the characteristics of the box. We start by building the structure of a 10-monomer propylene chain using the CHARMM-GUI interface. The procedure to build a polymer model are described in a video demo. Here are the input choices to be selected to build a 10-monomer propylene chain using the Polymer Builder tool:
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