On Tue, Aug 25, 2015, MOHD HOMAIDUR RAHMAN wrote:
> ntpr = 1000, ntwx = 1000, ntwe = 0, ntwprt=0,
> nstlim = 5000000, dt =0.002,
>
> The output file shows that all the 5000000 steps were completed. However
> when I load it in VMD (or even check it using cpptraj/ptraj), I notice that
> only some 2000 odd frames are present. The same input file gives 5000
> frames as expected for the subsequent 10 ns runs. Where am I going wrong?
It looks like maybe the output trajectory for this particular run was
corrupted. There is probably not much you can do: since this is a netcf
trajectory, look closely at what cpptraj reports when it loads the file.
....dac
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Received on Tue Aug 25 2015 - 05:30:05 PDT
