[AMBER] US or SMD for torsion angle steering?

From: Fabian Glaser <fabian.glaser.gmail.com>
Date: Mon, 11 Jan 2021 16:31:08 +0200

Dear experts,

This is probably a simple topic for experts, but I would be grateful for some theoretical insights here. I am working on a torsion angles exploration between different but very similar proteins. Now, I need to push one of them "to be the other" at certain regions, which usually involve pushing one or two or three torsion angles (psi / phi) at the same time.

I know this can be done with US or SMD, but I can not decide why one method should be preferred over the other in this case.




Fabian Glaser PhD

Bioinformatics Knowledge Unit - BKU
The Lorry I. Lokey Center for Life Sciences and Engineering
Technion - Israel Institute of Technology, Haifa, Israel
Web https://lokey.technion.ac.il/bioinformatic-knowledge-unit/
Tel +972 (0) 4 8293701

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Received on Mon Jan 11 2021 - 07:00:02 PST
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