Quoting Nilesh Dhumal <ndhu...@andrew.cmu.edu>:
I run the following command.
g_wham -it tpr-files.dat -ix pullx-files.dat
I am getting only one pick. I have total 20 pullx. files.
Why I am getting only one pick instead of multiple.
My guess is you're plotting histo.xvg wrong. Try
xmgrace -nxy histo.xvg
and/or looking into the file with your favorite text editor to verify
its contents.
-Justin
NIlesh
On Mon, January 10, 2011 2:05 pm, jalem...@vt.edu wrote:
Quoting Nilesh Dhumal <ndhu...@andrew.cmu.edu>:
Hello,
I trying to run umbrella sampling simulation for system.
To get histograms should I make pullx-files.dat with pullx.files and
then use g_wham.
There is a tutorial that explains all of this:
http://www.gromacs.org/Documentation/Tutorials#Pull_Code_and_Umbrella_Sam
pling
-Justin
Nilesh
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