[gmx-users] Re: REMD analysis

[bharat gupta]

Dear Sir,

I tried plotting the PE overlap using the following way :-

1. extract PE of each replica using g_energy
2. get the PE distribution using g_analyze -f potential_0.xvg -dist pot0.xvg
3. used xmgrace to plot all the PE distribution graphs together.

The same thing I did for temperature distribution for each replica.

Here's the file for both PE overlap (
https://www.dropbox.com/s/895f1bi0hkuy884/pe_dist.png)
temp distribution (https://www.dropbox.com/s/ed66uop16blgqwa/temp_dist.png)
Is this the correct way ??


But the plot doesnot look like this (
https://www.dropbox.com/s/fsuabkl7zrydnib/sample%20PE%20overlap.jpg). Do i
have to normalize the data and then plot in order to get a smooth plot like
this one??

--------
Bharat