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how to build Molecules.json #25

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oldkingh4 opened this issue Dec 4, 2024 · 1 comment

oldkingh4 commented Dec 4, 2024

I would like to ask whether it is necessary to add

Chiralcenters Bond BondDipoles Bend UrayBradley InvBend Torsion Imp.Torsion Bond/Bond Stretch/Bend Bend/Bend Stretch/Torsion Bend/Torsion IntraVDW IntraCoulomb for this file creation like raspa2

Because I can't find an example in example_definitions.

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dubbelda commented Jan 11, 2025

Flexible molecule are not yet implemented.

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