Hi,
Thanks a lot for your reply.
Regards,
Moitrayee
> Hi
>
> This is a bug that Dan Roe has fixed already. I am not sure if there is
> a bugfix for this.
>
> The intermediate solution is to do what Jason mentioned, to create a
> single netcdf or mdcrd file and get pdbs from there.
>
> Adrian
>
>
> On 4/11/11 8:01 PM, moitrayee.mbu.iisc.ernet.in wrote:
>>> On Mon, Apr 11, 2011 at 10:03 AM,<moitrayee.mbu.iisc.ernet.in> wrote:
>>>
>>>> Dear Jason,
>>
>>> Thus, the 10 frames you see are just from the last trajectory you read in. If
>> this is true (a ptraj expert would have to confirm), then the way to do what
>> you
>> want to do is run it in 2 steps. First, combine all of the
>> trajectories/snapshots into a single trajectory, then in a separate step,
>> extract the PDBs.
>>>
>> I thinks this exactly what is happening here. So do you think I should make a
>> single netcdf file out of the trajectories and then run trajout.
>>
>>
>> Thanks a lot.
>>
>> Moitrayee
>>
>>
>>
>>
>>
>>
>>
>
> --
> Dr. Adrian E. Roitberg
> Associate Professor
> Quantum Theory Project, Department of Chemistry
> University of Florida
>
> on Sabbatical in Barcelona until August 2011.
> Email roitberg.ufl.edu
>
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Received on Mon Apr 11 2011 - 11:30:05 PDT
