AMBER Archive (2007)

Subject: Re: AMBER: Specific/Non-specific dihedral issue in Amber

From: David A. Case (case_at_scripps.edu)
Date: Mon Jul 09 2007 - 09:58:51 CDT

On Mon, Jul 09, 2007, Narayanan Veeraraghavan wrote:

> I was looking up the dihedral dump from rdparms and I see that in
> addition to specific dihedrals, non-specific dihedrals are also
> included. For example: H1-CT-CT-OS as well as X-CT-CT-X
>
> I would have thought that if a specific dihedral is available, the
> non-specific dihedrals should be ignored.

This is correct. Can you provide a small example of what you are seeing?

...dac

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