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

From: Shashidhar Rao <shashidharr.gmail.com>
Date: Tue, 15 Jan 2013 14:04:04 -0500

thank you very much, Dan.

Shashi Rao

On Tue, Jan 15, 2013 at 1:52 PM, Daniel Roe <daniel.r.roe.gmail.com> wrote:

> 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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>



-- 
Shashidhar N. Rao
3 SERINA DRIVE
PLAINSBORO
NEW JERSEY 08536 USA
shashidharr.gmail.com
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Received on Tue Jan 15 2013 - 11:30:02 PST
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