Hi,
If this is a netcdf trajectory you can see exactly how many frames are
in it without even going through cpptraj or vmd using the ncdump
command with '-h', e.g. "ncdump -h mytraj.nc". Right near the top
you'll see something like:
frame = UNLIMITED ; // (X currently)
If X is 2000 then there are indeed only 2000 frames in the trajectory.
This probably means one of 2 things:
1) The run terminated before nstlim was reached after only 2000 frames
were written.
2) You're comparing the trajectory to the wrong output file and
actually had nstlim set to 2000000 for the run.
It's hard for me to come up with any other scenarios based on the
given information. Is the trajectory otherwise OK? When you visualize
it are there any artifacts?
-Dan
On Tue, Aug 25, 2015 at 8:22 AM, MOHD HOMAIDUR RAHMAN
<rahmanhpu.gmail.com> wrote:
> On Tue, Aug 25, 2015 at 5:50 PM, David A Case <david.case.rutgers.edu>
> wrote:
>
>> here is probably not much you can do: since this is a netcf
>
>
> Thank you Prof. Case
>
> The cpptraj load trajectory without any error message.
>
> Regards
> Rahman
>
>
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--
-------------------------
Daniel R. Roe, PhD
Department of Medicinal Chemistry
University of Utah
30 South 2000 East, Room 307
Salt Lake City, UT 84112-5820
http://home.chpc.utah.edu/~cheatham/
(801) 587-9652
(801) 585-6208 (Fax)
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Received on Tue Aug 25 2015 - 08:00:04 PDT
