Hi,
You are running cpptraj interactively so you need to type ‘run’ or ‘go’ to
execute the queued commands. Cpptraj is asking if you really want to quit
because you haven’t ‘run’ yet.
-Dan
On Wed, Jan 24, 2018 at 3:04 AM Simon Kit Sang Chu <simoncks1994.gmail.com>
wrote:
> Hi everyone,
>
> Thanks to the suggestion by Batuhan Kav, now I proceed to extract frames
> from my mdcrd to restart files. I used the following command in cpptraj :
>
> cpptraj step2.prmtop
> trajin npt.mdcrd
> trajout test restrt onlyframes 1
>
> Unfortunately, there is neither restart file created in my directory, nor
> could I leave cpptraj due to a warning.
>
> There are actions/analyses/trajectories queued. Really quit? [y/n]>
>
>
> I am only outputting a single frame and I did not expect that it takes so
> long. My mdcrd file only contains 10 frames. Has anyone experienced this
> problem before? Did I mistakenly give the wrong command?
>
> Thanks in advance.
>
> Regards,
> Simon
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>
--
-------------------------
Daniel R. Roe
Laboratory of Computational Biology
National Institutes of Health, NHLBI
5635 Fishers Ln, Rm T900
Rockville MD, 20852
https://www.lobos.nih.gov/lcb
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Received on Wed Jan 24 2018 - 03:30:02 PST
