Dan,
Thanks for the reminder...
Simon
2018-01-24 19:10 GMT+08:00 Daniel Roe <daniel.r.roe.gmail.com>:
> 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
> > _______________________________________________
> > AMBER mailing list
> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
> >
> --
> -------------------------
> 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
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Jan 24 2018 - 07:00:03 PST
