Re: [AMBER] CPPTRAJ hbond Analysis

From: Rana Rehan Khalid <rrkhalid.umich.edu>
Date: Tue, 19 Dec 2017 03:36:49 +0500

Dear Sir I tried this command with jpeg option but no image open ""error
message show jpeg not a jpeg file."
This command i used

secstruct :1-22 out dsp.gnu JPEG
secstruct :1-22 out dsp.gnu dsp.jpeg

Kindly guide thanks.

On Mon, Dec 18, 2017 at 11:52 PM, Daniel Roe <daniel.r.roe.gmail.com> wrote:

> You could use the 'jpeg' option with gnuplot output to generate
> gunplot input that will automatically create a JPEG image for you when
> run.
>
> -Dan
>
> On Mon, Dec 18, 2017 at 6:04 AM, Rana Rehan Khalid <rrkhalid.umich.edu>
> wrote:
> > I tried it but no data show in xmgrace. Sir
> >
> > On Mon, Dec 18, 2017 at 3:47 PM, Hai Nguyen <nhai.qn.gmail.com> wrote:
> >
> >> May be changing file extension would help?
> >>
> >> (.gnu -> .agr)
> >>
> >> Hai
> >>
> >> On Mon, Dec 18, 2017 at 4:17 AM Rana Rehan Khalid <rrkhalid.umich.edu>
> >> wrote:
> >>
> >> > Dear Amber Users
> >> >
> >> > I follow the tutorial of Hbond analysis with CPPTRAJ the file
> >> bbhbond.gnu
> >> > size is 844 mb which is very big file to open in gnuplot. Because i
> tried
> >> > to open it many time in gnuplot but its not open. Can anyone tell me
> how
> >> I
> >> > can open it. or can I convert .gnu to .agr to visualize the plot.
> here is
> >> > the command I used to get bbhbond.gnu file.
> >> >
> >> > hbond Backbone :1-189.C,O,N,H avgout BB.avg.dat series uuseries
> >> > bbhbond.gnu
> >> >
> >> > Regards.
> >> > _______________________________________________
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> >> >
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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 Mon Dec 18 2017 - 15:00:02 PST
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