[gmx-users] histograms

[jalemkul at vt.edu]

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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>>
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