Date: Thu, 7 Jun 2018 19:19:09 +0000
Greetings AMBER Mailing List,
I have a question about cpptraj.
I am trying to replace the frame # with time in the x-axis of an output file created by cpptraj.
I am able to use the time command with rms, i.e. rms :1-20 out rmsd.dat time 0.02 and the frame # is replaced by the time.
However, this does not work with creating a gnuplot with the secstruct command. :1-20 out sec.gnu time 0.02, the frame # is not replaced with the time.
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 below 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
[cid:image001.png.01D3FE72.E2082DB0]
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.
[cid:image002.png.01D3FE72.E2082DB0]
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
(image/png attachment: image001.png)
(image/png attachment: image002.png)
