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

From: David A. Case <>
Date: Mon, 9 Jul 2007 07:58:51 -0700

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?


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Received on Wed Jul 11 2007 - 06:07:26 PDT
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