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insilichem / gaudi

GaudiMM: A modular optimization platform for molecular design
http://gaudi.readthedocs.io
GNU Lesser General Public License v3.0
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Fix: torsion of planar C2-C2 N2-N2 #2

Closed josan82 closed 6 years ago

josan82 commented 6 years ago

Torsion allele are angles from [-180 to 180), so the expression of planar bonds C2-C2 N2-N2 has to be 0 or 180 in a uniform distribution

jaimergp commented 6 years ago

@josan82, can you update your PR so the last changes are included? Travis builds were failing but it's now fixed (library issue, nothing to do with our code).