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PyCGTOOL v2.0.0 #52
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PyCGTOOL v2.0.0 #52
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…irtual beads. Also added a test to check for this bug
Virtual sites
…t circular. Added some tests to for these new util functions. reduced some tolerances to 0.005 the account for float over/under flow difference between methods
Dihedrals
circular variance function fixed and further tests added to check this
Refactor Boltzmann Inversion for angles
…ith the beads they are contructed from
A bugfix in this version introduced another bug which prevented reading GRO files with non-standard residue names
This allows forcefield directories to be produced using the installed version of PyCGTOOL
Isn't really doing anything useful here
- Better intro and usage sections - Conda install [skip ci]
Remove cython as a runtime dependency
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