This error message is from ptraj, and says that your trajectory file does
not have 8000 frames. Have you double-checked exactly how many frames
g1tetra_prod_mdx1 has? It looks like it only has 5000 frames, based on the
messages you provided, which is why it couldn't process frames 6000-8000,
since they do not exist.
-Bill
On Sat, Mar 19, 2011 at 12:27 PM, Chris Chris <alpharecept.yahoo.com> wrote:
> I am using amber 11/mmpbsa.py. I have not been able to process my results
> thusfar and believe I have found the result:
>
> PTRAJ: Processing input from file _MMPBSA_cenptraj.in
> PTRAJ: trajin g1tetra_prod_mdx1 6000 8000 1
> Checking coordinates: g1tetra_prod_mdx1
> Rank: 0 Atoms: 29291 FrameSize: 711797 TitleSize: 81 NumBox: 3 Seekable 1
> FYI ptrajSetupIO(): trajin stop value (8000) is greater than the number of
> sets
> read in.
> Setting stop to the maximum value (5000)
> WARNING in ptrajSetupIO(): trajectory start is > stop; no
> configurations will be processed
>
>
> I specified frames that exceed the maximum value, thus the program will not
> process the trajectories.
>
> How can I change this maximum value? I ran the production sims for 10ns and
> am
> interested in frames 6000-8000.
>
> Thanks
>
>
>
>
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>
--
Bill Miller III
Quantum Theory Project,
University of Florida
Ph.D. Graduate Student
352-392-6715
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Received on Sat Mar 19 2011 - 10:00:03 PDT
