AMBER Archive (2007)

Subject: Re: AMBER: hbond ptraj

From: Thomas Cheatham (tec3_at_utah.edu)
Date: Thu May 17 2007 - 09:32:15 CDT


> 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

--tec3

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