Re: [AMBER] Query about plotting/visualizing the lifetime curve from H-Bond analysis using CPPTRAJ

From: Daniel Roe <daniel.r.roe.gmail.com>
Date: Fri, 29 Mar 2019 10:34:55 -0400

Hi,

For "standard" cpptraj data output, each data set is placed into a
column, so you can use e.g. the block data read with grace:

xmgrace -block crv.lifehb.dat -bxy "1:2" -bxy "1:3" ...

Or you could write it out in grace format from the start. Or use your
favorite graphing program in a similar manner. Hope this helps,

-Dan

On Fri, Mar 29, 2019 at 10:12 AM SATYAJIT KHATUA
<satyajitkhatua09.gmail.com> wrote:
>
> Hi,
> I am using "hbond" command of CPPTRAJ for analyzing the solute solute
> hydrogen bonds and I have successfully created the the data files as well
> as the time series data for solutes. Upon lifetime analysis of that time
> series data, a file with lifetime (crv.lifehb.dat) of H-bonds has been
> generated. So far there is no problem. But I have no idea how will this
> .dat file be visualized? any help is appreciated.
>
> Thanks in advance,
> Satyajit Khatua
> Department of Chemistry
> IIT Kharagpur
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> AMBER mailing list
> AMBER.ambermd.org
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Received on Fri Mar 29 2019 - 08:00:04 PDT
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