Re: AMBER: H Bonds

From: Sanjeev B.S. <>
Date: Thu, 6 May 2004 10:39:06 +0530 (IST)

> The angle reported by carnal is as follows:
> D-H...A

At least upto amber7, it is H-D-A that is reported. I had to tweak carnal
to report the above angle, which is similar to other software criteria.

    Cutoff H-donor-acceptor angle in degrees (0 is linear)..."
Page: 224, amber7 manual.

Best wishes,

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Received on Thu May 06 2004 - 06:53:00 PDT
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