Re: [AMBER] Problems when using cpptraj for reimaging when INPCRD file is one of the input frames

From: Daniel Roe <daniel.r.roe.gmail.com>
Date: Wed, 15 Aug 2012 11:49:18 -0600

Hi,

On Wed, Aug 15, 2012 at 4:11 AM, Marek Maly <marek.maly.ujep.cz> wrote:
> Yes I know the difference but with DRMSD I had problem in case of PTRAJ
>
> ---------------------------------------------------------------------
> PTRAJ: drmsd :CEN,REC,REP,REE,ENP,EN0 first out DEN_RST.RMSD.RMSD
>
> WARNING in dispatchToken: Token string "drmsd" not found in tokenlist

Oh, I didn't understand you initially, sorry. The issue here is that
drmsd is in cpptraj only.

I have received the test case (thanks!); I'll check it out and get
back to you shortly.

-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 Wed Aug 15 2012 - 11:30:03 PDT
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