AMBER Archive (2004)

Subject: Re: AMBER: H Bonds

From: Sanjeev B.S. (sanjeev_at_mbu.iisc.ernet.in)
Date: Thu May 06 2004 - 00:09:06 CDT

> 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.

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

Best wishes,
-Sanjeev

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