Thank you!
-----Original Message-----
From: Daniel Roe <daniel.r.roe.gmail.com>
Sent: Monday, June 11, 2018 3:20 PM
To: AMBER Mailing List <amber.ambermd.org>
Subject: Re: [AMBER] Change x-axis from frame # to time in gnu plot created with secstruct command using cpptraj
Hi,
Try 'datafile dssp.gnu time 0.02 xlabel ns zlabels None,Para,Anti,3-10,Alpha,Pi,Turn,Bend' instead.
I'll look into the label change issue in the meantime.
-Dan
On Mon, Jun 11, 2018 at 3:07 PM, Krantzman, Kristin D <KrantzmanK.cofc.edu> wrote:
> Greetings AMBER Mailing List,
>
> I have a question about cpptraj.
>
> I am trying to replace the frame # with time in the x-axis of a gpu formatted output file created by cpptraj.
>
> I tried following the secstruct command with a datafile command, i.e. datafile sec.gnu time 0.02. However, this new file had both the x-axis changed to time and the labels for the contour to numbers instead of the label for the secondary structure.
>
> Is there a straightforward way to do this? I want to change the frame # 1-5000 in the plot to frame # 1-20.
>
> Thank you.
>
> Best, Kristin
>
>
>
> Dr. Kristin D. Krantzman
>
> Professor
>
> Department of Chemistry and Biochemistry College of Charleston
>
> 66 George St.
>
> Charleston, SC 29424
>
>
>
> 843-953-5587
>
>
>
>
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Received on Mon Jun 11 2018 - 12:30:03 PDT
