Re: [AMBER] using image command in cpptraj...

From: Daniel Roe <daniel.r.roe.gmail.com>
Date: Tue, 15 Jan 2013 11:52:50 -0700

Hi,

On Tue, Jan 15, 2013 at 11:34 AM, Shashidhar Rao <shashidharr.gmail.com> wrote:
> Warning: Image::setup: Parm reference.pdb does not contain box information.
> Warning: Setup failed for [image com :5-170 :184-352]: Skipping

Imaging makes no sense without box information. You should convert to
a format other than PDB that can use box information (such as Amber
Netcdf, Charmm DCD, etc).

Also, I recommend using the 'autoimage' command for imaging.

-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 Tue Jan 15 2013 - 11:00:05 PST
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