Re: [AMBER] CPPTRAJ hbond Analysis

From: Daniel Roe <daniel.r.roe.gmail.com>
Date: Mon, 18 Dec 2017 13:52:03 -0500

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 - 11:00:04 PST
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