Published November 21, 2019
| Version v1
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Input files for PyGBe to obtain results from "Free energies of the disassembly of viral capsids from a multiscale molecular simulation approach"
Authors/Creators
- 1. Universidad Técnica Federico Santa María, Chile
- 2. Institute of Fundamental Technological Research, Poland
- 3. Max Planck Institute for Polymer Research
Description
This repository contains all the required inputs to run the Poisson-Boltzmann solver PyGBe (https://github.com/barbagroup/pygbe, https://github.com/pygbe), and reproduce the results of the paper "Free energies of the disassembly of viral capsids from a multiscale molecular simulation approach" by M. Martínez, C.D. Cooper, A.B. Poma, and H.V. Guzmán (under review).
To run, first download PyGBe from the Github website and install; then download and unzip the '.zip' files from this repository to get the corresponding folders with the and type
'pygbe /location/of/folder'
The file names indicate where the result can be found in the paper.
Enjoy!
Files
Table2_row2.zip
Files
(646.7 MB)
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