Re: [AMBER] trajout last x frames cpptraj

From: Daniel Roe <daniel.r.roe.gmail.com>
Date: Mon, 23 Jul 2018 13:34:57 -0400

Hi Travis,

Just wanted to let you know that this functionality is now present in
cpptraj. See https://github.com/Amber-MD/cpptraj/issues/553.

Thanks for the suggestion,

-Dan

On Mon, Oct 2, 2017 at 10:16 AM, Hughes, Travis
<travis.hughes.mso.umt.edu> wrote:
> Dan, Thanks for letting me know!
>
> Travis
>
> Travis Hughes
> Assistant Professor
> Biomedical and Pharmaceutical Sci.
> Center for Biomolecular Structure and Dynamics
> University of Montana, Missoula
> travis.hughes.umontana.edu<mailto:travis.hughes.umontana.edu>
> (406) 243-2750
>
>
>
>
>
>
>
>
>
> On Oct 2, 2017, at 6:31 AM, Daniel Roe <daniel.r.roe.gmail.com<mailto:daniel.r.roe.gmail.com>> wrote:
>
> Hi Travis,
>
> As has already been indicated there's currently no way to do that in
> cpptraj, but that's a good idea. I'll add it to my to-do list. In the
> meantime pytraj may be your best bet. Thanks!
>
> -Dan
>
> On Thu, Sep 28, 2017 at 2:23 PM, Hughes, Travis
> <travis.hughes.mso.umt.edu<mailto:travis.hughes.mso.umt.edu>> wrote:
> Is there any built in way (without knowing how many frames are in a trajectory) to trajout only the last say 500 frames of a trajectory?
> for example something like this:
>
> trajin sometraj.nc 1 last 1
> trajout sometrajlast500.nc -500 last 1
>
>
> We can script something to find the length of the trajectory and then use that info to do this, but is there something easy and built in to cpptraj?
>
> Thanks,
> Travis
>
>
> Travis Hughes
> Assistant Professor
> Biomedical and Pharmaceutical Sci.
> Center for Biomolecular Structure and Dynamics
> University of Montana, Missoula
> travis.hughes.umontana.edu<mailto:travis.hughes.umontana.edu><mailto:travis.hughes.umontana.edu>
> (406) 243-2750
>
>
>
>
>
>
>
>
>
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org<mailto: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

_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Jul 23 2018 - 11:00:02 PDT
Custom Search