On Mon, Sep 6, 2010 at 10:15 AM, Ehsan Habibi <EHabibi.ibb.ut.ac.ir> wrote:
> Dear Dan,
> If I write:
> 'trajin model_wat_md2.mdcrd" without [ start stop offset], Does it mean "
> read all the trajectory file"?
Yes.
> because when I mention any [strart stop offset] (e.g. 1 50000 5) I give me
> 500 set:
>
> PTRAJ: trajin creb_wat_md2.mdcrd 1 50000 5
> Checking coordinates: creb_wat_md2.mdcrd
> FYI ptrajSetupIO(): trajin stop value (50000) is greater than the number of
> sets read in.
> Setting stop to the maximum value (500)
If there are only 500 sets in your trajectory, this is all ptraj can
possibly read. If that's not the number you are expecting you should
go back through your calculations to see why.
-Dan
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Received on Tue Sep 07 2010 - 06:00:03 PDT
