Re: [AMBER] (no subject)

From: Thomas Cheatham III <>
Date: Tue, 29 Jun 2010 11:53:33 -0600 (Mountain Daylight Time)

> I am trying to find the hydrogen bonds in an 81-residue protein. I am
> using the ptraj script given below. I can't get the program to save the
> hydrogen bond data to a file. The data is printed on the screen but will

> hbond distance 3.5 angle 120.0 donor acceptor includeself print series
> hb.out

series requires specification of a variable to name the series (i.e. in
your case hb.out). Change to "series hb out hb.out". Obviously I need to
update the manual here. --tec3

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Received on Tue Jun 29 2010 - 11:00:03 PDT
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