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Examples about generating torsional potential surfaces and equilibrium conformations for compounds in the paper #3

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xiaohongniua opened this issue Jan 16, 2025 · 0 comments
Open

Examples about generating torsional potential surfaces and equilibrium conformations for compounds in the paper #3

xiaohongniua opened this issue Jan 16, 2025 · 0 comments

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@xiaohongniua
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Thanks for your amazing work. Is it possible for you to disclose some code examples about how to generate torsional potential surfaces and equilibrium conformations for compounds in the paper?
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