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SENPAI-Molecular-Dynamics / SENPAI

Molecular dynamics simulation software
https://senpaimd.org
GNU General Public License v3.0
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Implement bond torsion #6

Open Chelsea486MHz opened 5 years ago

Chelsea486MHz commented 5 years ago

SENPAI does not yet understand the concept of bond torsion.

As an example, ethylene is supposed to be a planar molecule, but SENPAI will allow unrestricted rotation over the C=C double bond. 300px-Energetics_1