Re: [AMBER] hbond in ptraj and cpptraj

From: Daniel Roe <daniel.r.roe.gmail.com>
Date: Mon, 3 Jun 2013 07:43:51 -0600

Hi,

On Mon, Jun 3, 2013 at 6:19 AM, <pmaj.nencki.gov.pl> wrote:
> Well, it's a pitty a didn't "triple check" then I would notice that you
> set distance cutoff in cpptraj with "dist" not "cut" like in ptraj.
> Sorry for wasting your time.

Actually it's not a waste at all. With cpptraj I would like to
eventually get to 100% backwards compatibility with ptraj syntax. The
majority of commands are already 100% backwards compatible but
occasionally I miss a keyword or two. Thanks for the report.

-Dan

-- 
-------------------------
Daniel R. Roe, PhD
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 Mon Jun 03 2013 - 07:00:03 PDT
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