Re: [AMBER] CPPTRAJ hbond Analysis

From: Rana Rehan Khalid <rrkhalid.umich.edu>
Date: Mon, 18 Dec 2017 16:04:23 +0500

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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Received on Mon Dec 18 2017 - 03:30:03 PST
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