Re: AMBER: hbond analysis in ptaj/carnal

From: Bill Ross <>
Date: Thu, 26 May 2005 09:44:13 -0700 (PDT)


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.

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Received on Thu May 26 2005 - 17:53:00 PDT
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