[gmx-users] histograms

[Nilesh Dhumal]

I am using gnuplot
I am using following script to plot

set term postscript
set output "histo.eps"
p 'histo.xvg' u 1:2 w l

Also attached plot.

NIlesh

On Mon, January 10, 2011 2:43 pm, jalemkul at vt.edu wrote:
> Quoting Nilesh Dhumal <ndhumal at 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, jalemkul at vt.edu wrote:
>>
>>> Quoting Nilesh Dhumal <ndhumal at 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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