Dear Sir,
But, I used the command "trajout out PDB" and I could transfor 500000 sets
of coordinates.
YT
On Fri, 2 Jul 2010 01:48:06 -0400, Jason Swails <jason.swails.gmail.com>
wrote:
> 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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Received on Fri Jul 02 2010 - 00:30:03 PDT
