Thank you Jason, I tried tried the nobox and yet the nMOLDYN displays
"not a trajectory".
This is a binary file, I dont know what else could be happening.
regards,
ganesh
On Thu, May 6, 2010 at 9:37 AM, Jason Swails <jason.swails.gmail.com> wrote:
> Hello,
>
> I use ptraj to convert to netcdf all the time, and it works just fine for
> me. You need to trajout the trajectory as a netcdf file. For instance:
>
> trajout mytrajectory.netcdf netcdf
>
> You need a netcdf at the end to write to the proper format I believe.
>
> It is also possible that box information is messing up nMOLDYN if it doesn't
> know to expect that. To get rid of box information, simply put "nobox" at
> the end of the trajout command.
>
> Good luck!
> Jason
>
> On Thu, May 6, 2010 at 9:31 AM, Ganesh Kamath <gkamath9173.gmail.com> wrote:
>
>> Hi amber folks,
>>
>> I know this question maybe slightly out but just wanted to see if
>> anyone has tried this before.
>>
>> Amber ptraj has a utitlity for converting mdcrd files to netcdf binary
>> format. I tried it and I thought it
>> was successful. However there is this program called nMOLDYN which
>> reads only netcdf format.
>> I tried to read this converted trajectory in nMOLDYN and it says that
>> this maynot be a trajectory.
>> Has anyone tried using this software or the netcdf format.
>>
>> Any help will be greatly appreciated.
>>
>> thanks,
>> ganesh
>>
>> _______________________________________________
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>> AMBER.ambermd.org
>> http://lists.ambermd.org/mailman/listinfo/amber
>>
>
>
>
> --
> Jason M. Swails
> Quantum Theory Project,
> University of Florida
> Ph.D. Graduate Student
> 352-392-4032
> _______________________________________________
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> http://lists.ambermd.org/mailman/listinfo/amber
>
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Received on Thu May 06 2010 - 07:30:03 PDT
