AMBER Archive (2005)

Subject: Re: AMBER: hbond analysis in ptaj/carnal

From: Bill Ross (ross_at_cgl.ucsf.edu)
Date: Thu May 26 2005 - 11:44:13 CDT

> DONOR-H-ACCEPTOR angle

You can modify the code.. it should be trivial to change the order
of coordinates input to the angle calculation.

> in carnal DONOR seems to be defined as a donor of the hydrogen atom.

That's what I remember. Note that carnal is slated for removal
from future distributions of amber, and no one has showed an
interest in supporting it outside the amber team.

Bill
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