Re: [AMBER] Radial distribution function (RDF) for sugars in disaccharides

From: Daniel Roe <daniel.r.roe.gmail.com>
Date: Tue, 7 Apr 2015 08:19:08 -0600

On Mon, Apr 6, 2015 at 8:51 PM, Vijay Achari <glycoamber.gmail.com> wrote:
> radial ring1_Out.rdf 0.05 15.0 :DDM.O11 O12 O13 O14 O15 O16 :DDM.O21 O22
> O23 O24 O25 O26 noimage center1 center2 nointramol

Those aren't valid atom masks. You probably want commas, e.g.
':DDM.O11,O12,O13' etc. Please read section '28.2.3 Atom Mask
Selection Syntax' of the Amber 14 manual.

-Dan

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Daniel R. Roe, PhD
Department of Medicinal Chemistry
University of Utah
30 South 2000 East, Room 307
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http://home.chpc.utah.edu/~cheatham/
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Received on Tue Apr 07 2015 - 07:30:02 PDT