Hi, Daniel:
I use the amber14. It says:
> [autoimage]
Warning: Unknown Command autoimage.
Do you know what might be the problem?
Li
On Wed, Jul 9, 2014 at 12:09 PM, Daniel Roe <daniel.r.roe.gmail.com> wrote:
> Hi,
>
> What version of cpptraj are you using. Also, please post the complete
> output from cpptraj. Do any messages/warnings/errors occur when cpptraj
> attempts to process the autoimage command? You should see something like:
>
> [autoimage firstatom]
> AUTOIMAGE: To box center based on first atom position, anchor is first
> molecule.
>
> PARM [rna_15a.prmtop]: Setting up 0 actions.
> > ----- [rna_15a_4. <http://rna_15a_4.nc/>*mdcrd*] (1-250, 1) -----
> > 0% 10% 20% 30% 40% 50% 60% 70% 80% 90% 100% Complete.
> >
>
> This indicates that the autoimage command was not properly processed. This
> combined with the way your output looks makes me think you are not using
> cpptraj from AmberTools 14. Please update to AmberTools 14 and try your
> script again.
>
> -Dan
>
>
> >
> > Read 250 frames and processed 250 frames.
> >
> > ACTION OUTPUT:
> >
> > DATASETS:
> > There are no data sets set up for analysis.
> >
> > It will generate an mdcrd file rna_15a_image.mdcrd. But it takes no
> action
> > to reimage the positions.
> >
> > Could anyone tells what the problem is and what's the right way to do it?
> >
> > Thank you very much!
> > --
> > Li Xiao
> > University of California, Irvine
> > Email: xiaoli19871216.gmail.com
> > _______________________________________________
> > AMBER mailing list
> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
> >
>
>
>
> --
> -------------------------
> 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) 585-6208 (Fax)
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>
--
Li Xiao
University of California, Irvine
Email: xiaoli19871216.gmail.com
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Received on Wed Jul 09 2014 - 13:00:02 PDT
