Re: [AMBER] hydrogen bond analysis

From: Daniel Roe <daniel.r.roe.gmail.com>
Date: Fri, 22 Jun 2012 09:15:58 -0400

Hi,

On Fri, Jun 22, 2012 at 7:48 AM, Urszula Uciechowska
<urszula.uciechowska.chem.umu.se> wrote:
> acceptor mask  :18.N1.M34:19.H7.M34

Something like this is not a valid mask expression. For 'acceptor
mask' you need to provide two separate mask expressions (the heavy
atom and the hydrogen). I think what you want instead is:

acceptor mask :M34.N1 :M34.H7

-- 
-------------------------
Daniel R. Roe, PhD
Lab Specialist
Department of Medicinal Chemistry
University of Utah
30 South 2000 East, Room 201
Salt Lake City, UT 84112-5820
http://home.chpc.utah.edu/~cheatham/
(801) 587-9652
(801) 585-9119 (Fax)
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Received on Fri Jun 22 2012 - 06:30:04 PDT