Re: [AMBER] using "append" in trajout

From: Daniel Roe <daniel.r.roe.gmail.com>
Date: Wed, 27 Jun 2012 08:51:56 -0400

Hi,

On Tue, Jun 26, 2012 at 12:46 PM, Mahendra B Thapa <thapamb.mail.uc.edu> wrote:
> 1.5, April 7, 2011*} (section 7.4.4,page - 149) explains that "The file
> will be appended to if append is specified (not supported for pdb, mol2, or
> restart)"*. In my case, * trajout  prod_001pdb pdb append nobox *did not
> produce any output file BUT gave output if I removed "append" from the
> trajout.

Since it is stated that PDB output does not support 'append' this
seems like the right behavior, unless I missed something.

-Dan

-- 
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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 Wed Jun 27 2012 - 06:00:07 PDT
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