Re: AMBER: H Bonds

From: Sanjeev B.S. <>
Date: Fri, 7 May 2004 14:08:24 +0530 (IST)

> Sorry - I'd forgotten my own code. I think I chose that order
> (in 1990 it seems) because I thought it was a standard. Does
> anyone know if there is a standard for this?

>From the literature I am exposed to, I am yet to see this angle criteria
being used. While working on HBOND I tried to figure out if there was
an equivalent way of describing the more popular criteria (D-H...A), I
found that as D...A distance comes closer to 2.5A, it becomes difficult to
reconcile the angles. I then changed the code to work with D-H...A angle
directly. [The change was so simple that I could do it without prior
knowledge of C++, in hbond.c. :) ]

The AMBER Mail Reflector
To post, send mail to
To unsubscribe, send "unsubscribe amber" to
Received on Fri May 07 2004 - 09:53:00 PDT
Custom Search