Oh. Sorry. I still use the amber12. That's why. The amber14 will gets the
right output.
On Wed, Jul 9, 2014 at 12:36 PM, 肖立 <xiaoli19871216.gmail.com> wrote:
> 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)
>> _______________________________________________
>> AMBER mailing list
>> AMBER.ambermd.org
>> http://lists.ambermd.org/mailman/listinfo/amber
>>
>
>
>
> --
> Li Xiao
> University of California, Irvine
> Email: xiaoli19871216.gmail.com
>
--
Li Xiao
University of California, Irvine
Email: xiaoli19871216.gmail.com
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Received on Wed Jul 09 2014 - 13:00:03 PDT
