Add a function to set up GCMC simulations

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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Add a function to set up GCMC simulations #37

Closed davidbbeyer closed 5 months ago

davidbbeyer commented 5 months ago

We should add a function to set up simulations of systems grand-canonically coupled to a reservoir of salt.