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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bug: create_molecule(positions) only creates the fist molecule in the correct position #35

Closed pm-blanco closed 5 months ago

pm-blanco commented 5 months ago

the optional argument position should take a list of list with the positions where the first particle of each molecule should be created. Currently, it only has the expected behavior for the first molecule while the rest are created at random positions