pyMBE-dev / pyMBE

pyMBE provides tools to facilitate building up molecules with complex architectures in the Molecular Dynamics software ESPResSo. For an up-to-date API documention please check our website:
https://pymbe-dev.github.io/pyMBE/pyMBE.html
GNU General Public License v3.0
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Fix issue on create_paper_data.py #59

Closed paobtorres closed 1 month ago

paobtorres commented 2 months ago

The output of calculate_HH is [0.0, 0.0...] for figures 7c, 8a and 8b.