Re: AMBER: hbond ptraj

From: Thomas Cheatham <>
Date: Thu, 17 May 2007 08:32:15 -0600 (Mountain Daylight Time)

> trajin drug_receptor.mdcrd 1 1000
> donor DA N1
> acceptor DA C2 H2
> acceptor DA N6 H61
> hbond

Add the "series hbond out hbond.dat" to hbond and to include the self
interactions add includeself

hbond series hbond out hbond.dat includeself


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Received on Sun May 20 2007 - 06:07:22 PDT
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