Sorry, you told me 92 92 1:
92 92 1
FYI ptraj(): trajin stop value (92) is greater than the number of sets read
in
FYI ptraj(): Setting stop to the maximum value (20)
WARNING in ptraj(): trajectory start is > stop; no
configurations will be processed
Thanks,
JJ
2007/5/15, Gustavo Seabra <gustavo.seabra.gmail.com>:
>
> j j wrote:
> > Dear amber users,
> > I'm using ptraj and I would like to extract a restart file from a
> > trajectory.
> > I know is the frame 92, so one way is going to the corresponding
> > trajectory file of the molecular dynamics by dividing the
> > number of frames collected in each trajectory file (20) and giving
> > as input just it.
> > But for example if I would like to process the whole trajectory
> > (Coordinate processing will occur on 441 frames),
> > Is there anyway to specify to ptraj that I want just to extract
> > the frame 92 after read all the frames without having to save
> > anything else?,
> > Thank you,
> > JJ
> >
> Have you tried to play with the 'trajin' options? My guess is something
> like
>
> trajin <file> 92 92 1
>
> should work, if you already *know* that the only one you want is frame
> 92. (I'm not sure if you would use 92 or 91 there though.)
>
> Gustavo.
>
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--
fantvamp
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Received on Sun May 20 2007 - 06:07:04 PDT
