[gmx-users] calculating total percentage of time from gibbs free energy landscape

Naba nabajyoti.goswami at gmail.com
Mon Sep 14 08:14:24 CEST 2015

No. I don't think that link is of my use.
What I wanted to know is:
As the xpm files obtained from g_sham when converted to .eps file using
xpm2ps with "-rainbow red" option, the gibbs free energy minima are at the
regions where there are deep blue colors. So, I want to extract exact x, y
points from this image in order identify those frames over simulation time
and need to calculate how many percentage of frames appear at a particular
I tried:

awk -v x=firstcoordmin -v y=secondcoordmin 'BEGIN{while(getline
$1}}}' second_coordinate_file.xvg

But this needs exact points at "x=firstcoordmin" and " y=secondcoordmin"
and returns exact timestamp corresponding to given x and y.
Alternatively, I tried
http://nmr.chem.uu.nl/~adrien/course/molmod/get_timestamp.py with given
instructions. But I don't find the reliable outputs from it.

So, please help me out if there is any script to do this task.

Thanks in advance.

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