Hi,
I recommend upgrading to cpptraj from AmberTools 15 and trying again.
AmberTools 13 is a few years out of date at this point.
-Dan
On Mon, Jun 22, 2015 at 3:11 AM, windy <chxp_moon.163.com> wrote:
> Dear all,
>
> The command 'cluster' can export the single representive frames by using
> 'repfmt'
>
>
> When I using the 'autoimage' to image the water into box, the exported
> files still not imaged. How I export the autoimaged representive frames in
> one cpptrage script?
>
> Here is My cpptraj scipt:
>
> trajin md.nc
> autoimage
> reference md.nc average 1 1 1
> strip !(:1-284<:4)
> cluster CA .CA clusters 5 sieve 10 summary sum.out repout ct1-p1zd-a1
> repfmt pdb
>
> And I using amber12 and AmberTools13. Thanks for your help.
>
>
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>
--
-------------------------
Daniel R. Roe, PhD
Department of Medicinal Chemistry
University of Utah
30 South 2000 East, Room 307
Salt Lake City, UT 84112-5820
http://home.chpc.utah.edu/~cheatham/
(801) 587-9652
(801) 585-6208 (Fax)
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Received on Mon Jun 22 2015 - 09:30:02 PDT
