The default trajectory format since Amber 16 is NetCDF (i.e.
ioutfm=1). This format is higher precision, less error-prone, and
faster to process than the old ASCII format (ioutfm=0). However, it
cannot be processed compressed. Unzip the file and then process it
(you don't save as much space with NetCDF files compared to ASCII
files by gzipping anyway).
-Dan
On Tue, Sep 5, 2017 at 11:37 AM, Thakur, Abhishek <axt651.miami.edu> wrote:
> Hi,
>
>
> Just now I have moved from amber14 to amber16.
>
>
> I was using the same script for my MD, but after MD run the trajectory file which I have got seems to be in different format.
>
>
> Something like this
>
>
> ^.^.^.^F^.^.^.^Eframe^@^@^@^@^@^@^@^@^@^@^Gspatial^@^@^@^@^C^@^@^@^Datom^@^@รข.^@^@^@^Lcell_spatial^@^@^@^C^@^@^@^Elabel^@^@^@^@^@^@^E^@^@^@^Lcell_angular^@^@^@^C^@^@^@^L^@^@^@^F^@^@^@^Etitle^@^@^@^@^@^@^B^@^@^@^Ldefault_name^@^@^@^Kapplication^@^@^@^@^B^@^@^@^EAMBER^@^@^@^@^@^@^Gprogram^@^@^@^@^B^@^@^@^Epmemd^@^@^@^@^@^@^NprogramVersion^@^@^@^@^@^B^@^@^@^D16.0^@^@^@^KConventions^@^@^@^@^B^@^@^@^EAMBER^@^@^@^@^@^@^QConventionVersion^@^@^@^@^@^@^B^@^@^@^C1.0^@^@^@^@^K^@^@^@^G^@^@^@^Dtime^@^@^@^A^@^@^@^@^@^@^@^L^@^@^@^A^@^@^@^Eunits^@^@^@^@^@^@^B^@^@^@
> picosecond^.^.^.^.^.^E^.^.^.^D^.^@^@^@^@^@^C(^@^@^@^Gspatial^@^@^@^@^A^@^@^@^A^@^@^@^@^@^@^@^@^@^@^@^B^@^@^@^D^@^@^@^@^@^@^C^P^@^@^@^Kcoordinates^@^@^@^@^C^@^@^@^@^@^@^@^B^@^@^@^A^@^@^@^L^@^@^@^A^@^@^@^Eunits^@^@^@^@^@^@^B^@^@^@^Hangstrom^@^@^@^E^@
> <9a>(^.^.^@^@^@^@^C,^@^@^@^Lcell_spatial^@^@^@^A^@^@^@^C^@^@^@^@^@^@^@^@^@^@^@^B^@^@^@^D^@^@^@^@^@^@^C^T^@^@^@^Lcell_angular^@^@^@^B^@^@^@^E^@^@^@^D^@^@^@^@^@^@^@^@^@^@^@^B^@^@^@^P^@^@^@^@^@^@^C^X^@^@^@^Lcell_lengths^@^@^@^B^@^@^@^@^@^@^@^C^@^@^@^L^@^@^@^A^@^@^@^Eunits^@^@^@^@^@^@^B^@^@^@^Hangstrom^@^@^@^F^@^@^@^X^@^@^@^@^@
> <9d>T^.^.^.^Kcell_angles^@^@^@^@^B^@^@^@^@^@^@^@^E^@^@^@^L^@^@^@^A^@^@^@^Eunits^@^@^@^@^@^@^B^@^@^@^Fdegree^@^@^@^@^@^F^@^@^@^X^@^@^@^@^@
>
>
>
> So while doing autoimage I am getting an error
>
>
> Error: Could not determine trajectory NEW_MD_10ns.crd.gz format.
>
>
>
> Is there anything that I can do to convert it back so that I can proceed with my analysis?
>
> Is there also anything that I can add to my script so that it gives me final output after converting it.
>
>
>
>
> Thanking you,
>
> -AT
>
> _______________________________________________
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> http://lists.ambermd.org/mailman/listinfo/amber
--
-------------------------
Daniel R. Roe
Laboratory of Computational Biology
National Institutes of Health, NHLBI
5635 Fishers Ln, Rm T900
Rockville MD, 20852
https://www.lobos.nih.gov/lcb
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Received on Tue Sep 05 2017 - 09:00:05 PDT
