AMBER Archive (2007)

Subject: Re: Re : AMBER: intra-molecular h-bonds in ptraj

From: Thomas Cheatham (tec3_at_utah.edu)
Date: Sun Jan 07 2007 - 22:51:29 CST

>
> "data will be sorted, intra-residue interactions will NOT be included,"
>
> so I still cannot list intra-residue h-bonds.
>

Add the "includeself" keyword to the hbond command to include
intra-residue interactions.

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