Hello,
On Fri, Jul 2, 2010 at 1:12 AM, c00jsw00 <c00jsw00.nchc.org.tw> wrote:
> Dear all,
> This is my ptraj input and output ..
>
> #input
> ------------------------------------------------------
> trajin afm.x 1 500000 1
> reference 2.pdb
> rms reference out rms .CA
> trajout out
>
>
>
> #output
> ------------------------------------------------------
> PTRAJ: Processing input from "STDIN" ...
>
> PTRAJ: trajin afm.x 1 500000 1
> Checking coordinates: afm.x
> FYI ptrajSetupIO(): trajin stop value (500000) is greater than the number
> of sets read in.
> Setting stop to the maximum value (14734)
> ..........
>
>
>
> >From the output, the ptraj only read 14734 coordunates. How could I do to
> fix the problem ?
>
It only read in 14,734 sets of coordinates because that's all there is in
your coordinate file. If you expect more, then your topology file and your
mdcrd file are likely incompatible. You can verify this in a visualization
program.
Good luck!
Jason
>
> Thanks
>
> YT Wang
>
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>
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Graduate Student
352-392-4032
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Received on Thu Jul 01 2010 - 23:00:04 PDT
