additional notes:
I applied bugfix.all before compiling AT 1.4.
Then AT 1.4 was compiled serially with all tests passed and finally ptraj
was compiled in parallel mode.
On Sun, Jun 27, 2010 at 10:52 AM, M. Reza Ganjalikhany <
ganjalikhany.gmail.com> wrote:
> Hello all,
>
>
>
> I want to analyze my compressed trajectory files in Ambertools1.4 with
> ptraj.MPI but
> I got the following massage when I used mdcrd.gz files:
>
> PTRAJ: Processing input from file new-analysis.in
>
> PTRAJ: trajin calb_wat_md1.mdcrd.gz
> Checking coordinates: calb_wat_md1.mdcrd.gz
> Compression is not currently supported for parallel ptraj.
> trajin calb_wat_md1.mdcrd.gz ignored; could not open file
> (calb_wat_md1.mdcrd.gz)
> Could not process trajectory calb_wat_md1.mdcrd.gz
>
> PTRAJ: trajin calb_wat_md2.mdcrd.gz
> Checking coordinates: calb_wat_md2.mdcrd.gz
> Compression is not currently supported for parallel ptraj.
> trajin calb_wat_md2.mdcrd.gz ignored; could not open file
> (calb_wat_md2.mdcrd.gz)
> Could not process trajectory calb_wat_md2.mdcrd.gz
>
>
>
> Is there any way to use mdcrd.gz file in ptraj.MPI?
>
> Thank you in advance,
> M. Reza
>
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Received on Sun Jun 27 2010 - 05:00:02 PDT
