On Tue, May 24, 2011 at 5:34 PM, Jagur Lambix <jagurlambix.yahoo.com> wrote:
> Dear Amber Users,
>
> Is there any upper size limit for a trajectory file to be read by the ptraj
> ?
> I have a file size of ~ 2.00 GB, which is NOT readable by ptraj.
> On the other hand, with small files, ptraj works fine.
>
> While working with it, I got the following message
>
> PTRAJ: Processing input from "STDIN" ...
>
> PTRAJ: trajin /home/jl/prod_1_2_3_4_5ns.mdcrd.gz
> Checking coordinates: /home/jl/prod_1_2_3_4_5ns.mdcrd.gz
> Could not process trajectory /home/jl/prod_1_2_3_4_5ns.mdcrd.gz
>
> WARNING in ptraj ( ): No input trajectories specified (trajin), aborting...
>
> I am working on the Ambertools 1.4 installed in my computer. I have patched
> all
> the bugfixes while installation of AT 1.4.
>
Try AmberTools 1.5 (and also try cpptraj of AmberTools 1.5, as it is a
different code that may be able to process it better).
>
> Please let me know, how to overcome it.
>
Use NetCDF files from now on.
HTH,
Jason
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Tue May 24 2011 - 19:00:05 PDT
